#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwa n ARG 7 N 0.00 1.45 -0.88 -0.78 3.00 -1.26 -5.13 116.66 113.06 1iwa n ARG 7 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1iwa n ARG 7 Cb 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 32.46 32.45 1iwa n ARG 7 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1iwa n ILE 8 N 0.00 0.31 -2.60 5.15 5.41 -1.26 -5.02 119.36 121.35 1iwa n ILE 8 Ca 0.00 -0.23 -0.21 0.00 1.00 0.00 0.00 62.75 63.31 1iwa n ILE 8 Cb 0.00 -0.64 0.04 0.00 -0.71 0.00 0.00 39.64 38.33 1iwa n ILE 8 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1iwa s LYS 9 N -3.49 2.48 -0.41 0.38 2.47 -1.26 -5.07 119.74 114.83 1iwa s LYS 9 Ca 0.58 -0.76 0.08 0.00 -1.56 0.00 0.00 55.97 54.31 1iwa s LYS 9 Cb -0.23 -2.46 0.37 0.00 -1.46 0.00 0.00 37.83 34.05 1iwa s LYS 9 CO 0.66 -0.78 1.28 0.09 0.16 0.00 0.00 175.35 176.76 1iwa n ASN 10 N -2.41 -1.94 0.00 1.43 3.02 -1.26 -4.74 115.26 109.36 1iwa n ASN 10 Ca 0.08 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 1iwa n ASN 10 Cb 0.60 1.23 0.00 0.00 -0.61 0.00 0.00 39.78 41.00 1iwa n ASN 10 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1iwa n SER 11 N -0.32 1.29 0.32 6.41 3.41 -1.26 -4.94 113.62 118.53 1iwa n SER 11 Ca -0.00 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.82 1iwa n SER 11 Cb 0.81 0.00 1.11 0.00 -0.26 0.00 0.00 64.21 65.87 1iwa n SER 11 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 12 N 0.00 0.00 -0.29 4.33 9.65 -2.03 -2.70 114.38 123.34 1iwa h ARG 12 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1iwa h ARG 12 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1iwa h ARG 12 CO 0.00 0.01 0.00 0.66 2.80 0.00 0.00 179.97 183.44 1iwa n TYR 13 N -3.25 0.39 -2.15 2.20 4.02 -1.26 -5.00 117.16 112.11 1iwa n TYR 13 Ca -0.03 -0.47 -0.41 0.00 -0.01 0.00 0.00 57.90 56.99 1iwa n TYR 13 Cb 0.10 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1iwa n TYR 13 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1iwa s GLU 14 N -0.99 4.38 0.37 -0.72 -1.05 -1.02 -4.37 118.70 115.30 1iwa s GLU 14 Ca 0.20 2.17 -0.22 0.00 -0.15 0.00 0.00 54.97 56.97 1iwa s GLU 14 Cb 0.11 -3.09 -0.15 0.00 -0.44 0.00 0.00 34.13 30.55 1iwa s GLU 14 CO 0.14 -0.16 0.21 0.43 0.95 0.00 0.00 175.26 176.83 1iwa n SER 15 N 1.03 -2.37 0.00 0.83 7.64 -1.26 -4.89 113.62 114.61 1iwa n SER 15 Ca 0.01 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1iwa n SER 15 Cb 0.42 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1iwa n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iwa n GLY 16 N 2.21 3.73 3.50 0.23 0.00 -1.26 -5.00 105.19 108.60 1iwa n GLY 16 Ca 0.12 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 1iwa n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 17 N -2.00 4.10 0.08 1.61 1.01 -1.26 -1.42 120.40 122.52 1iwa s VAL 17 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1iwa s VAL 17 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1iwa s VAL 17 CO 0.00 0.45 -0.07 0.27 0.00 0.00 0.00 175.10 175.75 1iwa s ILE 18 N 0.71 0.67 0.73 2.22 -4.36 -1.26 -5.03 121.20 114.88 1iwa s ILE 18 Ca 0.00 -1.68 -0.16 0.00 -0.26 0.00 0.00 60.65 58.56 1iwa s ILE 18 Cb -0.14 -1.36 0.01 0.00 1.25 0.00 0.00 42.46 42.22 1iwa s ILE 18 CO 0.02 -0.72 0.98 -0.81 0.24 0.00 0.00 174.94 174.66 1iwa n PRO 19 N 0.41 0.48 -0.18 0.37 -0.04 -1.26 -4.90 135.00 129.88 1iwa n PRO 19 Ca -0.15 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1iwa n PRO 19 Cb 0.59 -2.24 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 1iwa n PRO 19 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1iwa h TYR 20 N -0.32 1.09 -0.39 0.54 0.05 -1.92 -2.74 116.97 113.29 1iwa h TYR 20 Ca -0.47 -0.22 0.09 0.00 0.05 0.00 0.00 58.73 58.19 1iwa h TYR 20 Cb 1.33 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 1iwa h TYR 20 CO 0.41 1.01 0.28 0.00 -1.05 0.00 0.00 178.16 178.80 1iwa h ALA 21 N 0.93 2.23 -0.18 3.88 0.00 -1.88 0.86 119.26 125.09 1iwa h ALA 21 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1iwa h ALA 21 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1iwa h ALA 21 CO 0.04 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 180.59 1iwa n LYS 22 N -4.45 1.86 -0.44 0.00 4.01 -1.05 -3.88 118.16 114.22 1iwa n LYS 22 Ca 0.06 -1.29 0.10 0.00 -0.51 0.00 0.00 58.31 56.67 1iwa n LYS 22 Cb 0.40 -1.42 0.31 0.00 -0.51 0.00 0.00 35.03 33.81 1iwa n LYS 22 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1iwa n MET 22 N 0.53 3.12 -0.98 1.97 2.81 0.29 -4.92 117.12 119.94 1iwa n MET 22 Ca 0.17 -2.68 0.00 0.00 -1.81 0.00 0.00 57.70 53.38 1iwa n MET 22 Cb 0.38 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1iwa n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iwa n GLY 23 N 1.26 0.50 1.11 3.03 0.00 -1.24 -4.94 105.19 104.91 1iwa n GLY 23 Ca 0.23 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.47 1iwa n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iwa n TYR 24 N -2.95 0.47 -3.86 1.61 4.01 -1.20 -4.80 117.16 110.44 1iwa n TYR 24 Ca 0.00 -0.25 -0.20 0.00 -0.16 0.00 0.00 57.90 57.30 1iwa n TYR 24 Cb 0.07 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.93 1iwa n TYR 24 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1iwa s TRP 25 N -1.45 0.42 -0.37 -0.72 -0.11 -1.26 -2.49 118.94 112.95 1iwa s TRP 25 Ca 0.37 -0.02 0.04 0.00 1.22 0.00 0.00 56.10 57.71 1iwa s TRP 25 Cb 0.22 -0.56 0.16 0.00 -1.50 0.00 0.00 33.47 31.79 1iwa s TRP 25 CO 0.30 -0.21 0.46 1.21 -4.62 0.00 0.00 176.95 174.10 1iwa s ASN 26 N 1.50 0.22 0.00 5.86 2.47 -0.49 -4.95 114.94 119.55 1iwa s ASN 26 Ca -0.03 -1.17 0.08 0.00 0.42 0.00 0.00 52.86 52.16 1iwa s ASN 26 Cb -0.13 1.07 0.45 0.00 -1.45 0.00 0.00 41.25 41.19 1iwa s ASN 26 CO -0.03 -0.25 0.97 -0.81 -3.72 0.00 0.00 177.10 173.27 1iwa n PRO 27 N 4.45 0.21 -0.05 0.43 -0.04 -1.26 -1.72 135.00 137.03 1iwa n PRO 27 Ca 0.10 0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 1iwa n PRO 27 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 1iwa n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iwa n ASP 28 N -1.08 1.20 -4.04 3.54 10.43 -1.26 -4.95 116.55 120.40 1iwa n ASP 28 Ca 0.05 0.00 -0.47 0.00 2.57 0.00 0.00 54.79 56.94 1iwa n ASP 28 Cb 0.04 1.27 -0.04 0.00 1.84 0.00 0.00 41.12 44.22 1iwa n ASP 28 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iwa n TYR 29 N -2.35 -0.10 -3.59 1.24 9.36 -0.70 -4.91 117.16 116.11 1iwa n TYR 29 Ca -0.15 0.91 -0.38 0.00 3.32 0.00 0.00 57.90 61.59 1iwa n TYR 29 Cb 0.75 -1.83 -0.11 0.00 -0.63 0.00 0.00 39.34 37.53 1iwa n TYR 29 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1iwa s GLN 30 N -0.60 3.83 0.10 2.98 -1.52 -1.26 -5.03 119.66 118.15 1iwa s GLN 30 Ca 0.67 -0.40 -0.31 0.00 -1.95 0.00 0.00 55.36 53.36 1iwa s GLN 30 Cb -0.95 -3.67 -0.08 0.00 -0.22 0.00 0.00 33.01 28.09 1iwa s GLN 30 CO 0.51 -0.24 1.55 0.08 -0.25 0.00 0.00 175.29 176.95 1iwa s VAL 31 N 1.74 3.04 0.18 1.09 1.01 -1.26 -5.00 120.40 121.19 1iwa s VAL 31 Ca 0.07 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 1iwa s VAL 31 Cb -0.16 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1iwa s VAL 31 CO 0.10 0.02 0.42 -0.54 0.00 0.00 0.00 175.10 175.10 1iwa s LYS 32 N 1.88 3.62 0.30 2.72 1.02 -1.26 -4.97 119.74 123.06 1iwa s LYS 32 Ca 0.70 -0.08 0.24 0.00 0.02 0.00 0.00 55.97 56.85 1iwa s LYS 32 Cb -0.39 -2.80 1.10 0.00 -0.52 0.00 0.00 37.83 35.21 1iwa s LYS 32 CO 0.31 0.41 1.72 -0.44 -0.92 0.00 0.00 175.35 176.43 1iwa h ASP 33 N 2.53 0.00 0.24 2.83 3.45 -2.02 -1.51 116.42 121.94 1iwa h ASP 33 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1iwa h ASP 33 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1iwa h ASP 33 CO 0.71 0.00 -0.45 0.35 -1.57 0.00 0.00 179.24 178.27 1iwa n THR 34 N -2.30 0.00 -2.45 0.35 -2.24 -1.26 -4.20 114.28 102.18 1iwa n THR 34 Ca 0.01 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 1iwa n THR 34 Cb 0.16 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1iwa n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iwa s ASP 35 N -2.70 6.70 -0.26 3.42 1.01 -0.57 -3.87 116.67 120.41 1iwa s ASP 35 Ca 0.18 2.16 -0.17 0.00 0.71 0.00 0.00 52.55 55.43 1iwa s ASP 35 Cb 0.18 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1iwa s ASP 35 CO 0.62 -0.54 0.47 -0.69 0.21 0.00 0.00 175.17 175.25 1iwa s VAL 36 N -1.53 5.11 0.16 -1.27 1.01 0.03 -3.86 120.40 120.05 1iwa s VAL 36 Ca 0.57 0.79 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1iwa s VAL 36 Cb -0.26 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1iwa s VAL 36 CO 0.32 0.12 0.15 -0.76 0.00 0.00 0.00 175.10 174.93 1iwa s LEU 37 N 2.16 3.87 -0.04 3.92 1.43 -0.28 -0.30 118.68 129.44 1iwa s LEU 37 Ca 0.20 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1iwa s LEU 37 Cb -0.16 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1iwa s LEU 37 CO 0.09 0.07 0.16 0.00 0.23 0.00 0.00 176.35 176.90 1iwa s ALA 38 N -1.74 -0.38 -0.25 4.21 0.00 -0.29 -1.27 121.76 122.03 1iwa s ALA 38 Ca 0.31 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1iwa s ALA 38 Cb -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1iwa s ALA 38 CO 0.24 -0.13 -0.11 -1.17 0.00 0.00 0.00 175.76 174.59 1iwa s LEU 39 N -0.44 3.15 -0.08 0.00 0.20 -0.32 -0.96 118.68 120.22 1iwa s LEU 39 Ca -0.05 -1.27 -0.05 0.00 0.69 0.00 0.00 54.13 53.45 1iwa s LEU 39 Cb -0.03 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1iwa s LEU 39 CO 0.01 -0.17 0.12 -0.36 -0.29 0.00 0.00 176.35 175.65 1iwa s PHE 40 N 1.17 3.49 -0.53 5.38 0.08 -0.64 -1.02 117.98 125.90 1iwa s PHE 40 Ca -0.07 0.41 -0.16 0.00 0.12 0.00 0.00 56.93 57.24 1iwa s PHE 40 Cb -0.19 -1.87 0.13 0.00 -0.57 0.00 0.00 43.02 40.52 1iwa s PHE 40 CO -0.06 0.66 0.49 0.50 -0.10 0.00 0.00 175.22 176.71 1iwa s ARG 41 N -1.24 2.96 -0.15 0.44 3.52 0.79 -0.25 118.95 125.01 1iwa s ARG 41 Ca 0.18 -1.71 -0.08 0.00 -0.13 0.00 0.00 55.73 53.99 1iwa s ARG 41 Cb -0.12 -4.27 -0.04 0.00 -1.56 0.00 0.00 34.95 28.95 1iwa s ARG 41 CO 0.07 -1.32 0.13 0.08 -0.81 0.00 0.00 175.30 173.46 1iwa s VAL 42 N 1.59 5.43 -0.45 7.11 1.01 0.26 -1.57 120.40 133.78 1iwa s VAL 42 Ca 0.03 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1iwa s VAL 42 Cb -0.30 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 32.80 1iwa s VAL 42 CO 0.03 0.55 0.20 -0.89 0.00 0.00 0.00 175.10 175.00 1iwa s THR 43 N -0.52 2.18 0.62 3.92 2.01 0.80 0.39 115.64 125.05 1iwa s THR 43 Ca 0.12 -2.86 -0.17 0.00 0.31 0.00 0.00 61.69 59.10 1iwa s THR 43 Cb -0.12 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1iwa s THR 43 CO 0.02 -0.77 1.13 -2.16 -0.69 0.00 0.00 174.62 172.14 1iwa s PRO 44 N 0.19 2.93 0.58 4.92 0.04 -1.26 -0.88 135.00 141.53 1iwa s PRO 44 Ca 0.15 1.51 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 1iwa s PRO 44 Cb -0.24 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1iwa s PRO 44 CO -0.03 -1.17 1.25 -0.65 0.04 0.00 0.00 177.00 176.44 1iwa s GLN 45 N -3.79 2.99 -0.22 4.56 -1.52 -0.95 -4.53 119.66 116.19 1iwa s GLN 45 Ca 0.70 1.94 -0.28 0.00 -1.95 0.00 0.00 55.36 55.76 1iwa s GLN 45 Cb -0.23 -2.01 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 1iwa s GLN 45 CO 0.37 -1.22 2.09 -1.25 -0.25 0.00 0.00 175.29 175.02 1iwa s PRO 46 N -3.21 3.29 0.00 2.91 0.04 -1.26 -0.34 135.00 136.43 1iwa s PRO 46 Ca 0.76 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1iwa s PRO 46 Cb -0.33 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1iwa s PRO 46 CO 0.37 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1iwa n GLY 47 N 5.53 1.21 3.40 0.56 0.00 -1.26 -5.09 105.19 109.54 1iwa n GLY 47 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1iwa n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 48 N -2.00 3.73 0.08 1.61 1.01 0.54 -5.07 120.40 120.30 1iwa s VAL 48 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1iwa s VAL 48 Cb 0.00 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 1iwa s VAL 48 CO 0.00 0.43 1.88 -0.62 0.00 0.00 0.00 175.10 176.79 1iwa s ASP 49 N 1.13 6.45 0.15 3.32 3.68 -1.26 -4.73 116.67 125.41 1iwa s ASP 49 Ca 0.02 2.69 -0.25 0.00 2.13 0.00 0.00 52.55 57.15 1iwa s ASP 49 Cb -0.14 -2.55 0.02 0.00 -1.45 0.00 0.00 42.92 38.80 1iwa s ASP 49 CO 0.01 -1.02 1.59 1.55 0.13 0.00 0.00 175.17 177.43 1iwa h PRO 50 N 9.54 -0.31 -0.92 4.34 0.13 -1.97 0.52 132.00 143.33 1iwa h PRO 50 Ca -0.47 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1iwa h PRO 50 Cb 1.22 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1iwa h PRO 50 CO 0.94 -0.21 0.59 0.82 -0.23 0.00 0.00 178.00 179.92 1iwa h ILE 51 N -0.32 0.90 -0.34 -3.56 2.04 -1.99 0.17 117.51 114.41 1iwa h ILE 51 Ca 0.14 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1iwa h ILE 51 Cb 0.56 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1iwa h ILE 51 CO -0.49 0.15 -0.05 -0.08 0.00 0.00 0.00 178.15 177.68 1iwa h GLU 52 N 0.83 0.55 -0.06 2.37 4.57 -1.38 -1.36 114.58 120.10 1iwa h GLU 52 Ca 0.45 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 1iwa h GLU 52 Cb 0.56 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1iwa h GLU 52 CO -0.21 0.61 -0.02 0.00 -1.18 0.00 0.00 179.01 178.21 1iwa h ALA 53 N 1.43 0.09 -0.61 2.92 0.00 0.13 -1.64 119.26 121.57 1iwa h ALA 53 Ca 0.10 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 53 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1iwa h ALA 53 CO 0.02 -0.18 0.42 0.00 0.00 0.00 0.00 179.25 179.50 1iwa h ALA 54 N 0.64 2.21 -0.23 0.00 0.00 -0.82 -0.86 119.26 120.20 1iwa h ALA 54 Ca 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 54 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 54 CO 0.01 -0.36 -0.62 0.00 0.00 0.00 0.00 179.25 178.27 1iwa h ALA 55 N 1.70 0.46 -0.47 0.00 0.00 -0.86 -2.04 119.26 118.05 1iwa h ALA 55 Ca 0.29 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1iwa h ALA 55 Cb 0.78 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1iwa h ALA 55 CO -0.06 0.69 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 1iwa h ALA 56 N 0.70 0.71 -0.74 0.00 0.00 -0.24 0.43 119.26 120.12 1iwa h ALA 56 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1iwa h ALA 56 Cb 1.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1iwa h ALA 56 CO 0.13 0.67 0.30 0.28 0.00 0.00 0.00 179.25 180.64 1iwa h VAL 57 N 0.83 1.25 -0.07 0.00 2.07 -1.28 0.30 116.25 119.34 1iwa h VAL 57 Ca 0.11 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1iwa h VAL 57 Cb 0.80 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1iwa h VAL 57 CO 0.07 0.31 -0.17 0.00 0.02 0.00 0.00 177.57 177.80 1iwa h ALA 58 N 1.26 0.12 0.24 1.67 0.00 -1.02 -2.98 119.26 118.54 1iwa h ALA 58 Ca 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iwa h ALA 58 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 58 CO -0.02 0.04 -0.11 0.78 0.00 0.00 0.00 179.25 179.93 1iwa h GLY 59 N -0.24 -0.33 1.99 0.00 0.00 0.05 -3.15 103.07 101.38 1iwa h GLY 59 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1iwa h GLY 59 CO 0.04 -0.12 0.01 0.83 0.00 0.00 0.00 176.54 177.29 1iwa h GLU 60 N -0.64 0.00 -0.67 4.80 4.39 -0.53 -0.43 114.58 121.50 1iwa h GLU 60 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1iwa h GLU 60 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1iwa h GLU 60 CO 0.05 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.77 1iwa n SER 61 N -3.84 3.79 0.00 1.42 3.41 -1.13 -4.75 113.62 112.52 1iwa n SER 61 Ca -0.03 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 1iwa n SER 61 Cb 0.09 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1iwa n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iwa n SER 62 N 1.36 0.00 0.00 4.04 3.41 -0.66 -4.51 113.62 117.26 1iwa n SER 62 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1iwa n SER 62 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1iwa n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iwa n THR 63 N -0.84 0.00 -1.08 6.66 -2.24 -1.06 -4.98 114.28 110.74 1iwa n THR 63 Ca 0.00 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1iwa n THR 63 Cb 0.00 1.43 0.22 0.00 -2.10 0.00 0.00 70.33 69.87 1iwa n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa s ALA 64 N -0.01 0.65 -0.01 6.98 0.00 -0.26 -5.02 121.76 124.08 1iwa s ALA 64 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 1iwa s ALA 64 Cb 0.00 -2.99 0.10 0.00 0.00 0.00 0.00 23.12 20.23 1iwa s ALA 64 CO 0.00 -3.34 0.83 -0.08 0.00 0.00 0.00 175.76 173.17 1iwa s THR 65 N -2.96 0.00 0.19 0.00 -1.32 -1.26 -4.70 115.64 105.60 1iwa s THR 65 Ca 0.69 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.37 1iwa s THR 65 Cb -0.14 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.06 1iwa s THR 65 CO 0.57 0.00 1.58 4.11 -2.21 0.00 0.00 174.62 178.67 1iwa h TRP 66 N 2.24 0.00 -3.87 9.09 5.08 -1.98 -3.42 115.95 123.09 1iwa h TRP 66 Ca -0.24 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.54 1iwa h TRP 66 Cb 1.23 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 27.15 1iwa h TRP 66 CO 0.27 0.00 -0.70 -0.08 -1.28 0.00 0.00 178.44 176.65 1iwa s THR 67 N -3.61 0.07 -0.03 0.12 -1.32 -1.26 -4.69 115.64 104.91 1iwa s THR 67 Ca -0.02 -0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 59.62 1iwa s THR 67 Cb 0.06 -0.16 -0.08 0.00 -1.51 0.00 0.00 72.50 70.81 1iwa s THR 67 CO 0.19 -0.30 2.00 -0.69 -2.21 0.00 0.00 174.62 173.61 1iwa s VAL 68 N -0.87 3.06 -0.11 5.08 1.01 -0.51 -5.00 120.40 123.07 1iwa s VAL 68 Ca -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1iwa s VAL 68 Cb -0.06 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1iwa s VAL 68 CO -0.01 -0.01 0.05 0.68 0.00 0.00 0.00 175.10 175.81 1iwa s VAL 69 N 5.30 4.68 -1.74 2.92 -7.23 -1.26 -4.38 120.40 118.68 1iwa s VAL 69 Ca 0.90 -0.10 0.30 0.00 -1.81 0.00 0.00 61.98 61.27 1iwa s VAL 69 Cb -0.40 -3.02 0.59 0.00 0.56 0.00 0.00 36.38 34.11 1iwa s VAL 69 CO 0.39 0.58 1.98 -2.67 -0.31 0.00 0.00 175.10 175.08 1iwa n TRP 70 N 2.40 0.00 1.24 2.82 4.27 -1.26 -3.68 117.44 123.23 1iwa n TRP 70 Ca -0.19 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.55 1iwa n TRP 70 Cb 0.54 -0.15 0.65 0.00 -1.36 0.00 0.00 31.31 30.99 1iwa n TRP 70 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1iwa n THR 71 N -0.96 0.17 0.24 -1.67 -2.24 -1.26 -2.85 114.28 105.71 1iwa n THR 71 Ca 0.17 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1iwa n THR 71 Cb 0.24 -0.63 0.57 0.00 -2.10 0.00 0.00 70.33 68.41 1iwa n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1iwa h ASP 72 N 0.00 0.00 0.70 3.42 3.32 -1.96 -2.07 116.42 119.83 1iwa h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iwa h ASP 72 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1iwa h ASP 72 CO 0.00 0.19 0.00 -0.07 -1.72 0.00 0.00 179.24 177.64 1iwa h LEU 73 N 0.00 0.00 -0.81 1.55 -0.00 -1.83 -1.75 115.31 112.47 1iwa h LEU 73 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1iwa h LEU 73 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1iwa h LEU 73 CO 0.03 0.00 -0.07 0.18 -0.00 0.00 0.00 178.44 178.58 1iwa n LEU 74 N -2.49 1.33 0.00 1.67 4.77 -0.78 -4.90 117.00 116.60 1iwa n LEU 74 Ca 0.01 -0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 55.55 1iwa n LEU 74 Cb 0.22 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1iwa n LEU 74 CO 0.21 0.23 -0.01 0.35 -1.33 0.00 0.00 177.39 176.83 1iwa n THR 75 N -0.08 0.00 -1.98 -5.08 -2.24 -0.66 -5.04 114.28 99.20 1iwa n THR 75 Ca 0.17 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 1iwa n THR 75 Cb 0.35 0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1iwa n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa n ALA 76 N -2.90 5.97 -0.11 6.98 0.00 -1.26 -4.92 120.51 124.29 1iwa n ALA 76 Ca -0.01 -4.04 -0.03 0.00 0.00 0.00 0.00 53.44 49.36 1iwa n ALA 76 Cb 0.04 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 1iwa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwa n ALA 77 N -0.60 -0.16 -0.26 0.00 0.00 -1.26 0.27 120.51 118.50 1iwa n ALA 77 Ca 0.51 0.21 0.33 0.00 0.00 0.00 0.00 53.44 54.49 1iwa n ALA 77 Cb 0.48 -0.03 0.67 0.00 0.00 0.00 0.00 19.45 20.57 1iwa n ALA 77 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iwa h ASP 78 N 0.00 0.00 0.47 0.00 5.19 -1.93 0.27 116.42 120.42 1iwa h ASP 78 Ca 0.04 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.20 1iwa h ASP 78 Cb 0.10 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 1iwa h ASP 78 CO -0.24 0.00 -1.72 -0.11 -3.12 0.00 0.00 179.24 174.05 1iwa n LEU 79 N -3.75 0.70 -0.05 1.55 -0.00 0.14 -4.22 117.00 111.37 1iwa n LEU 79 Ca 0.24 0.32 0.12 0.00 -0.00 0.00 0.00 56.01 56.69 1iwa n LEU 79 Cb 1.32 0.18 0.22 0.00 -0.00 0.00 0.00 43.42 45.15 1iwa n LEU 79 CO 0.33 0.31 0.43 -1.22 -0.00 0.00 0.00 177.39 177.24 1iwa n TYR 80 N -2.92 0.00 -2.80 1.96 4.01 0.81 -4.60 117.16 113.62 1iwa n TYR 80 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 1iwa n TYR 80 Cb 0.98 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.78 1iwa n TYR 80 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1iwa s ARG 81 N -2.90 4.31 0.34 -0.72 0.52 -0.38 -4.36 118.95 115.76 1iwa s ARG 81 Ca 0.13 1.17 -0.27 0.00 -0.52 0.00 0.00 55.73 56.24 1iwa s ARG 81 Cb 0.18 -3.58 -0.09 0.00 0.52 0.00 0.00 34.95 31.97 1iwa s ARG 81 CO 0.69 -0.40 1.11 0.00 0.02 0.00 0.00 175.30 176.72 1iwa s ALA 82 N 2.37 3.27 -0.10 2.13 0.00 -1.26 -4.91 121.76 123.26 1iwa s ALA 82 Ca 0.41 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1iwa s ALA 82 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1iwa s ALA 82 CO 0.12 -0.29 -0.11 -1.59 0.00 0.00 0.00 175.76 173.89 1iwa s LYS 83 N -1.93 1.80 0.08 0.00 0.00 -0.85 -4.50 119.74 114.34 1iwa s LYS 83 Ca 0.51 -0.39 -0.30 0.00 0.00 0.00 0.00 55.97 55.78 1iwa s LYS 83 Cb -0.30 -1.66 -0.06 0.00 0.00 0.00 0.00 37.83 35.81 1iwa s LYS 83 CO 0.38 -0.15 1.19 0.00 0.00 0.00 0.00 175.35 176.77 1iwa s ALA 84 N 1.27 3.39 0.00 0.59 0.00 -1.04 -1.75 121.76 124.22 1iwa s ALA 84 Ca -0.02 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1iwa s ALA 84 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1iwa s ALA 84 CO -0.04 -0.41 0.63 2.48 0.00 0.00 0.00 175.76 178.42 1iwa n TYR 85 N 3.74 0.00 -3.64 0.00 4.11 -0.07 -1.40 117.16 119.91 1iwa n TYR 85 Ca 0.08 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.90 57.79 1iwa n TYR 85 Cb 0.46 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.34 39.72 1iwa n TYR 85 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1iwa s LYS 86 N -0.29 0.54 -0.12 -3.48 2.20 -1.23 -4.35 119.74 113.02 1iwa s LYS 86 Ca 0.00 0.96 -0.01 0.00 -0.36 0.00 0.00 55.97 56.57 1iwa s LYS 86 Cb 0.00 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.49 1iwa s LYS 86 CO 0.00 -0.12 -0.05 0.08 -0.36 0.00 0.00 175.35 174.90 1iwa s VAL 87 N 1.57 0.92 -0.01 4.02 1.01 -1.26 -0.74 120.40 125.91 1iwa s VAL 87 Ca -0.09 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1iwa s VAL 87 Cb -0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1iwa s VAL 87 CO -0.18 0.28 -0.21 -1.81 0.00 0.00 0.00 175.10 173.19 1iwa s ASP 88 N 1.74 2.41 0.17 3.32 -0.00 -0.52 -4.97 116.67 118.83 1iwa s ASP 88 Ca 0.04 -0.39 -0.30 0.00 -0.00 0.00 0.00 52.55 51.90 1iwa s ASP 88 Cb -0.13 -0.26 -0.07 0.00 -0.00 0.00 0.00 42.92 42.45 1iwa s ASP 88 CO -0.08 0.24 1.05 -1.58 -0.00 0.00 0.00 175.17 174.80 1iwa s GLN 89 N -0.56 4.65 0.34 8.23 0.74 -1.26 0.71 119.66 132.51 1iwa s GLN 89 Ca 0.08 1.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.83 1iwa s GLN 89 Cb -0.08 -3.30 -0.12 0.00 1.10 0.00 0.00 33.01 30.61 1iwa s GLN 89 CO -0.01 0.16 1.49 0.28 -0.55 0.00 0.00 175.29 176.66 1iwa n VAL 90 N 2.36 1.65 0.00 1.34 0.31 -0.75 -4.82 118.33 118.43 1iwa n VAL 90 Ca 0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1iwa n VAL 90 Cb 0.47 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1iwa n VAL 90 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1iwa n PRO 91 N 1.05 0.00 -0.66 5.55 -0.02 -1.26 -2.63 135.00 137.03 1iwa n PRO 91 Ca 0.04 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1iwa n PRO 91 Cb 0.37 -1.15 0.03 0.00 -0.02 0.00 0.00 33.50 32.74 1iwa n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1iwa n ASN 92 N -1.52 5.43 -3.22 2.55 5.03 -1.26 -4.70 115.26 117.56 1iwa n ASN 92 Ca 0.00 -2.74 0.04 0.00 0.87 0.00 0.00 54.58 52.75 1iwa n ASN 92 Cb 0.00 -0.98 -0.02 0.00 -1.02 0.00 0.00 39.78 37.76 1iwa n ASN 92 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1iwa s ASN 93 N 0.76 -1.07 0.00 6.41 3.84 -1.08 -5.01 114.94 118.79 1iwa s ASN 93 Ca 0.18 0.81 0.32 0.00 0.21 0.00 0.00 52.86 54.38 1iwa s ASN 93 Cb 0.15 1.95 1.82 0.00 -0.55 0.00 0.00 41.25 44.62 1iwa s ASN 93 CO 0.00 -0.20 2.19 -0.81 -2.79 0.00 0.00 177.10 175.49 1iwa n PRO 94 N 5.41 0.90 -0.05 0.43 -0.04 -1.26 -3.45 135.00 136.94 1iwa n PRO 94 Ca -0.04 -0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1iwa n PRO 94 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1iwa n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iwa n GLU 95 N -1.04 0.67 -3.68 0.54 1.02 -1.26 -4.97 120.64 111.93 1iwa n GLU 95 Ca 0.22 -0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 57.05 1iwa n GLU 95 Cb 0.14 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1iwa n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iwa s GLN 96 N -2.92 3.50 -0.07 3.49 -0.21 -1.22 -4.16 119.66 118.07 1iwa s GLN 96 Ca -0.08 -0.41 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 1iwa s GLN 96 Cb 0.09 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.32 1iwa s GLN 96 CO 0.86 0.36 0.18 0.71 -2.12 0.00 0.00 175.29 175.27 1iwa s TYR 97 N -1.98 -0.21 -0.36 0.91 1.51 0.16 -1.80 117.35 115.58 1iwa s TYR 97 Ca 0.38 0.55 -0.21 0.00 -1.01 0.00 0.00 57.07 56.78 1iwa s TYR 97 Cb -0.10 0.00 0.01 0.00 -0.11 0.00 0.00 41.96 41.75 1iwa s TYR 97 CO 0.30 -0.15 0.66 -0.06 -1.11 0.00 0.00 175.55 175.19 1iwa s PHE 98 N 0.79 3.14 -0.21 2.71 0.08 0.22 0.92 117.98 125.62 1iwa s PHE 98 Ca -0.06 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.31 1iwa s PHE 98 Cb -0.07 -3.20 -0.01 0.00 -0.57 0.00 0.00 43.02 39.17 1iwa s PHE 98 CO -0.04 -0.66 -0.07 0.00 -0.10 0.00 0.00 175.22 174.35 1iwa s ALA 99 N 2.78 2.76 -0.22 5.36 0.00 0.65 -1.44 121.76 131.65 1iwa s ALA 99 Ca 0.25 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 1iwa s ALA 99 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1iwa s ALA 99 CO 0.15 -0.34 0.65 0.71 0.00 0.00 0.00 175.76 176.94 1iwa s TYR 100 N 1.32 3.34 -0.02 0.00 1.51 0.08 -1.61 117.35 121.96 1iwa s TYR 100 Ca 0.04 0.92 0.07 0.00 -1.01 0.00 0.00 57.07 57.09 1iwa s TYR 100 Cb -0.14 -2.84 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 1iwa s TYR 100 CO -0.03 -0.24 -0.23 0.42 -1.11 0.00 0.00 175.55 174.35 1iwa s ILE 101 N 2.19 1.87 -0.11 2.71 1.01 -0.14 -0.89 121.20 127.84 1iwa s ILE 101 Ca 0.29 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1iwa s ILE 101 Cb -0.16 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1iwa s ILE 101 CO 0.10 0.53 -0.13 0.00 0.00 0.00 0.00 174.94 175.44 1iwa s ALA 102 N -0.47 2.66 0.09 9.38 0.00 -0.71 -1.14 121.76 131.56 1iwa s ALA 102 Ca 0.07 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.22 1iwa s ALA 102 Cb -0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1iwa s ALA 102 CO -0.00 0.33 -0.24 0.71 0.00 0.00 0.00 175.76 176.55 1iwa s TYR 103 N 0.07 2.38 0.20 0.00 1.51 0.59 -2.01 117.35 120.09 1iwa s TYR 103 Ca -0.05 -0.36 -0.28 0.00 -1.01 0.00 0.00 57.07 55.38 1iwa s TYR 103 Cb -0.14 -1.33 -0.08 0.00 -0.11 0.00 0.00 41.96 40.29 1iwa s TYR 103 CO 0.04 0.27 0.86 -2.00 -1.11 0.00 0.00 175.55 173.61 1iwa s GLU 104 N -1.76 4.71 0.28 -0.62 2.56 -1.26 -0.79 118.70 121.83 1iwa s GLU 104 Ca 0.14 1.32 0.03 0.00 0.00 0.00 0.00 54.97 56.45 1iwa s GLU 104 Cb -0.10 -3.27 0.68 0.00 2.00 0.00 0.00 34.13 33.43 1iwa s GLU 104 CO 0.05 0.54 1.71 1.25 -0.56 0.00 0.00 175.26 178.25 1iwa h LEU 105 N 4.29 0.36 -0.23 2.70 6.46 -1.94 -1.18 115.31 125.77 1iwa h LEU 105 Ca -0.46 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1iwa h LEU 105 Cb 1.20 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1iwa h LEU 105 CO 0.67 0.04 0.00 0.47 -0.62 0.00 0.00 178.44 179.00 1iwa n ASP 106 N -5.01 0.11 0.23 1.25 8.00 -1.26 -2.34 116.55 117.52 1iwa n ASP 106 Ca 0.21 0.54 0.13 0.00 0.71 0.00 0.00 54.79 56.38 1iwa n ASP 106 Cb 0.60 -0.56 0.28 0.00 -0.02 0.00 0.00 41.12 41.42 1iwa n ASP 106 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1iwa h LEU 107 N 0.00 0.00 -9.54 0.64 3.38 -1.61 -3.46 115.31 104.73 1iwa h LEU 107 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1iwa h LEU 107 Cb 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1iwa h LEU 107 CO 0.00 0.02 -0.64 -0.36 0.09 0.00 0.00 178.44 177.55 1iwa s PHE 108 N -3.30 3.00 -0.14 1.13 0.08 -0.99 -5.06 117.98 112.70 1iwa s PHE 108 Ca 0.06 -0.04 -0.23 0.00 0.12 0.00 0.00 56.93 56.83 1iwa s PHE 108 Cb 0.06 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1iwa s PHE 108 CO 0.65 0.50 0.73 -2.00 -0.10 0.00 0.00 175.22 174.99 1iwa s GLU 109 N -2.58 4.33 0.20 0.44 2.12 -1.26 -5.00 118.70 116.94 1iwa s GLU 109 Ca 0.27 0.85 -0.32 0.00 0.36 0.00 0.00 54.97 56.14 1iwa s GLU 109 Cb -0.11 -3.53 -0.15 0.00 0.26 0.00 0.00 34.13 30.60 1iwa s GLU 109 CO 0.19 -0.16 1.13 0.39 -0.54 0.00 0.00 175.26 176.27 1iwa n GLU 110 N 4.64 1.19 -2.14 4.30 4.71 -1.26 -2.29 120.64 129.79 1iwa n GLU 110 Ca 0.01 0.42 -0.18 0.00 -0.01 0.00 0.00 57.16 57.40 1iwa n GLU 110 Cb 0.50 -1.89 -0.03 0.00 -1.01 0.00 0.00 31.44 29.01 1iwa n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwa n GLY 111 N 1.87 0.17 3.00 0.62 0.00 -1.22 -4.97 105.19 104.65 1iwa n GLY 111 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1iwa n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iwa s SER 112 N -2.18 4.14 0.14 1.61 0.15 -0.97 -4.94 113.70 111.65 1iwa s SER 112 Ca 0.00 -1.29 -0.12 0.00 0.70 0.00 0.00 55.95 55.25 1iwa s SER 112 Cb 0.00 -1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 62.93 1iwa s SER 112 CO 0.00 -0.22 1.52 0.40 1.20 0.00 0.00 173.24 176.14 1iwa h ILE 113 N 6.72 1.28 -0.64 6.45 1.08 -1.93 -2.08 117.51 128.38 1iwa h ILE 113 Ca -0.18 -1.36 0.09 0.00 -0.39 0.00 0.00 64.86 63.01 1iwa h ILE 113 Cb 1.06 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.98 1iwa h ILE 113 CO 0.43 0.46 0.29 0.00 -0.69 0.00 0.00 178.15 178.64 1iwa h ALA 114 N 0.83 0.86 -0.37 1.87 0.00 -1.93 0.01 119.26 120.53 1iwa h ALA 114 Ca 0.09 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1iwa h ALA 114 Cb 0.78 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1iwa h ALA 114 CO 0.06 -0.11 -0.42 -0.97 0.00 0.00 0.00 179.25 177.81 1iwa h ASN 115 N 0.51 1.00 0.52 0.00 -0.73 -1.90 -0.88 115.58 114.10 1iwa h ASN 115 Ca 0.32 -0.48 -0.02 0.00 1.87 0.00 0.00 56.30 57.99 1iwa h ASN 115 Cb 0.34 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 1iwa h ASN 115 CO -0.27 1.28 -0.31 0.25 -0.37 0.00 0.00 177.43 178.01 1iwa h LEU 116 N 0.75 -0.78 -0.47 0.34 5.85 -0.62 -2.76 115.31 117.61 1iwa h LEU 116 Ca 0.05 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1iwa h LEU 116 Cb 1.02 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1iwa h LEU 116 CO 0.10 -0.50 0.24 0.71 -0.34 0.00 0.00 178.44 178.65 1iwa h THR 117 N -0.79 1.18 -0.93 1.05 1.35 -1.07 -1.98 112.91 111.72 1iwa h THR 117 Ca -0.06 -0.49 0.25 0.00 -0.55 0.00 0.00 66.41 65.56 1iwa h THR 117 Cb 0.64 0.64 -0.13 0.00 -1.73 0.00 0.00 68.15 67.57 1iwa h THR 117 CO 0.07 0.19 0.42 0.00 -0.25 0.00 0.00 175.52 175.95 1iwa h ALA 118 N 1.08 1.56 0.03 6.62 0.00 -1.07 0.50 119.26 127.98 1iwa h ALA 118 Ca 0.16 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1iwa h ALA 118 Cb 0.09 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iwa h ALA 118 CO -0.02 -0.42 -0.02 0.77 0.00 0.00 0.00 179.25 179.56 1iwa h SER 119 N 0.35 -0.04 -0.30 0.00 0.02 -1.20 -1.08 113.55 111.31 1iwa h SER 119 Ca 0.61 -0.59 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1iwa h SER 119 Cb 1.24 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1iwa h SER 119 CO -0.57 0.72 0.06 0.40 -1.14 0.00 0.00 176.83 176.30 1iwa h ILE 120 N -0.95 1.19 0.00 3.27 1.08 -0.80 -3.29 117.51 118.02 1iwa h ILE 120 Ca -0.00 -0.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1iwa h ILE 120 Cb 0.63 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 1iwa h ILE 120 CO 0.01 0.26 -0.38 2.30 -0.69 0.00 0.00 178.15 179.65 1iwa n ILE 121 N -4.30 1.04 0.40 -0.67 -5.35 0.17 -4.87 119.36 105.79 1iwa n ILE 121 Ca 0.02 -1.46 -0.19 0.00 -0.27 0.00 0.00 62.75 60.85 1iwa n ILE 121 Cb 0.22 0.17 -0.09 0.00 -1.74 0.00 0.00 39.64 38.20 1iwa n ILE 121 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1iwa h GLY 122 N 0.27 -1.05 0.00 3.28 0.00 -1.12 -3.43 103.07 101.01 1iwa h GLY 122 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1iwa h GLY 122 CO 0.01 -0.38 -0.49 0.70 0.00 0.00 0.00 176.54 176.38 1iwa n ASN 123 N -5.52 2.41 -0.59 0.19 3.02 -1.26 -4.87 115.26 108.64 1iwa n ASN 123 Ca -0.14 0.00 0.47 0.00 -0.03 0.00 0.00 54.58 54.87 1iwa n ASN 123 Cb 0.41 0.23 0.76 0.00 -0.61 0.00 0.00 39.78 40.56 1iwa n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1iwa h VAL 124 N 0.00 0.03 0.00 2.41 -1.51 -1.85 0.16 116.25 115.49 1iwa h VAL 124 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1iwa h VAL 124 Cb 0.49 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1iwa h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1iwa n PHE 125 N -4.30 0.00 -0.12 5.19 3.01 -1.26 -2.91 117.46 117.07 1iwa n PHE 125 Ca 0.42 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.90 1iwa n PHE 125 Cb 1.78 -0.23 0.04 0.00 -0.01 0.00 0.00 39.48 41.06 1iwa n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iwa n GLY 126 N 0.33 3.10 3.68 1.37 0.00 0.57 -4.91 105.19 109.33 1iwa n GLY 126 Ca 0.10 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1iwa n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iwa s PHE 127 N -1.15 2.80 0.22 1.61 5.36 -1.15 -4.93 117.98 120.74 1iwa s PHE 127 Ca 0.07 0.82 -0.08 0.00 -0.96 0.00 0.00 56.93 56.79 1iwa s PHE 127 Cb 0.05 -3.64 0.29 0.00 -0.34 0.00 0.00 43.02 39.38 1iwa s PHE 127 CO 0.03 -2.38 1.81 0.87 -1.46 0.00 0.00 175.22 174.09 1iwa h LYS 128 N 8.00 0.71 -0.02 10.12 1.57 -1.95 -1.90 116.57 133.11 1iwa h LYS 128 Ca -0.36 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1iwa h LYS 128 Cb 1.17 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1iwa h LYS 128 CO 0.91 0.47 0.11 0.00 -0.57 0.00 0.00 179.45 180.38 1iwa h ALA 129 N 1.38 1.22 -3.16 3.86 0.00 -1.99 -3.38 119.26 117.20 1iwa h ALA 129 Ca 0.33 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.57 1iwa h ALA 129 Cb 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.74 1iwa h ALA 129 CO -0.20 -0.12 -0.67 0.08 0.00 0.00 0.00 179.25 178.33 1iwa s VAL 130 N -4.23 3.49 0.09 0.00 1.01 -0.71 -2.24 120.40 117.80 1iwa s VAL 130 Ca -0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1iwa s VAL 130 Cb 0.12 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 1iwa s VAL 130 CO 0.40 0.08 1.62 0.50 0.00 0.00 0.00 175.10 177.70 1iwa h LYS 131 N 8.13 0.29 -3.46 2.72 3.64 -1.19 -3.43 116.57 123.27 1iwa h LYS 131 Ca -0.30 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 58.86 1iwa h LYS 131 Cb 1.11 -0.04 -0.23 0.00 -0.41 0.00 0.00 32.23 32.66 1iwa h LYS 131 CO 0.59 0.37 -0.51 0.00 -2.27 0.00 0.00 179.45 177.62 1iwa s ALA 132 N -5.49 -0.34 -0.11 5.00 0.00 -0.57 -5.02 121.76 115.23 1iwa s ALA 132 Ca -0.14 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1iwa s ALA 132 Cb 0.07 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1iwa s ALA 132 CO 0.71 -0.16 0.29 -1.17 0.00 0.00 0.00 175.76 175.44 1iwa s LEU 133 N -0.82 0.67 -0.06 0.00 2.96 -1.24 -0.14 118.68 120.05 1iwa s LEU 133 Ca -0.09 0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1iwa s LEU 133 Cb -0.05 0.97 0.04 0.00 0.50 0.00 0.00 46.19 47.65 1iwa s LEU 133 CO 0.01 -0.13 0.12 -0.60 -1.32 0.00 0.00 176.35 174.44 1iwa s ARG 134 N 0.55 0.02 -0.21 1.98 3.52 -0.61 -1.91 118.95 122.29 1iwa s ARG 134 Ca -0.03 0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 55.72 1iwa s ARG 134 Cb -0.05 -0.29 -0.00 0.00 -1.56 0.00 0.00 34.95 33.05 1iwa s ARG 134 CO -0.03 -0.26 1.18 -1.17 -0.81 0.00 0.00 175.30 174.21 1iwa s LEU 135 N 1.84 4.10 -0.20 -0.88 2.96 -0.22 -0.15 118.68 126.13 1iwa s LEU 135 Ca -0.01 1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 55.36 1iwa s LEU 135 Cb -0.12 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 1iwa s LEU 135 CO -0.05 -0.78 0.03 -0.62 -1.32 0.00 0.00 176.35 173.60 1iwa n GLU 136 N 6.63 0.70 -3.84 1.98 -0.58 -0.19 -1.16 120.64 124.18 1iwa n GLU 136 Ca 0.13 0.20 -0.08 0.00 -0.42 0.00 0.00 57.16 56.99 1iwa n GLU 136 Cb 0.46 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.70 1iwa n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1iwa s ASP 137 N -6.75 -0.25 -0.04 1.62 2.15 -1.17 -4.57 116.67 107.66 1iwa s ASP 137 Ca -0.30 -0.61 -0.12 0.00 0.43 0.00 0.00 52.55 51.96 1iwa s ASP 137 Cb 0.08 0.68 0.02 0.00 -0.30 0.00 0.00 42.92 43.40 1iwa s ASP 137 CO 0.67 -1.26 0.27 -0.04 -0.17 0.00 0.00 175.17 174.64 1iwa s MET 138 N -3.92 0.54 -0.37 4.34 -1.94 -1.26 -1.18 119.30 115.50 1iwa s MET 138 Ca 0.12 -0.07 -0.01 0.00 -1.71 0.00 0.00 55.69 54.02 1iwa s MET 138 Cb -0.04 0.24 0.10 0.00 2.01 0.00 0.00 34.83 37.14 1iwa s MET 138 CO 0.05 -0.13 0.13 0.50 -0.01 0.00 0.00 175.02 175.56 1iwa s ARG 139 N -0.93 1.91 -0.24 2.03 3.00 -0.40 -4.91 118.95 119.42 1iwa s ARG 139 Ca -0.10 -1.76 -0.23 0.00 -1.00 0.00 0.00 55.73 52.64 1iwa s ARG 139 Cb -0.05 -3.41 -0.01 0.00 0.00 0.00 0.00 34.95 31.48 1iwa s ARG 139 CO 0.03 -0.97 0.76 -0.51 0.00 0.00 0.00 175.30 174.61 1iwa s LEU 140 N 1.09 4.08 0.72 -0.88 1.43 -1.26 -1.13 118.68 122.73 1iwa s LEU 140 Ca 0.07 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 1iwa s LEU 140 Cb -0.21 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1iwa s LEU 140 CO -0.05 -0.46 0.93 -0.81 0.23 0.00 0.00 176.35 176.19 1iwa n PRO 141 N 5.88 0.48 -0.17 1.29 -0.04 -1.25 -4.75 135.00 136.44 1iwa n PRO 141 Ca 0.03 0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.67 1iwa n PRO 141 Cb 0.48 -2.19 0.05 0.00 -0.04 0.00 0.00 33.50 31.80 1iwa n PRO 141 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1iwa h LEU 142 N -0.27 0.42 -1.81 1.53 5.85 -1.88 -0.76 115.31 118.39 1iwa h LEU 142 Ca -0.47 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1iwa h LEU 142 Cb 1.33 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1iwa h LEU 142 CO 0.46 0.29 -0.05 0.00 -0.34 0.00 0.00 178.44 178.81 1iwa h ALA 143 N 1.26 1.05 0.19 1.25 0.00 -1.91 -2.11 119.26 118.99 1iwa h ALA 143 Ca 0.22 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 143 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1iwa h ALA 143 CO -0.14 0.06 -1.68 -0.92 0.00 0.00 0.00 179.25 176.58 1iwa h TYR 144 N 0.00 0.72 -0.50 0.00 3.20 -1.75 -3.33 116.97 115.31 1iwa h TYR 144 Ca -0.00 -0.53 0.03 0.00 3.14 0.00 0.00 58.73 61.38 1iwa h TYR 144 Cb 0.41 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1iwa h TYR 144 CO 0.00 1.65 0.33 -0.07 -1.64 0.00 0.00 178.16 178.44 1iwa h LEU 145 N 0.06 0.48 -0.53 2.82 4.07 -0.78 -1.61 115.31 119.82 1iwa h LEU 145 Ca -0.33 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1iwa h LEU 145 Cb 2.06 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.69 1iwa h LEU 145 CO 0.18 0.33 0.00 0.29 -1.08 0.00 0.00 178.44 178.15 1iwa n LYS 146 N -4.47 0.11 -0.06 1.13 4.76 -0.83 -2.15 118.16 116.65 1iwa n LYS 146 Ca 0.06 0.41 0.12 0.00 -2.87 0.00 0.00 58.31 56.03 1iwa n LYS 146 Cb 0.15 -1.74 0.40 0.00 -1.84 0.00 0.00 35.03 32.00 1iwa n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1iwa n THR 147 N -1.94 0.16 -4.13 -0.18 -2.24 -0.61 -4.86 114.28 100.48 1iwa n THR 147 Ca 0.02 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 1iwa n THR 147 Cb 0.16 0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 1iwa n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1iwa s PHE 148 N -1.84 2.98 0.15 4.78 0.40 -0.91 -3.42 117.98 120.12 1iwa s PHE 148 Ca 0.34 -0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.53 1iwa s PHE 148 Cb 0.19 -1.53 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 1iwa s PHE 148 CO 0.29 0.48 1.53 0.37 0.70 0.00 0.00 175.22 178.59 1iwa h GLN 149 N 3.40 0.98 0.00 0.44 4.15 -1.86 -3.50 115.11 118.72 1iwa h GLN 149 Ca -0.48 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.51 1iwa h GLN 149 Cb 1.17 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1iwa h GLN 149 CO 0.60 1.10 0.00 0.41 -1.93 0.00 0.00 178.83 179.01 1iwa n GLY 150 N -0.08 -1.51 3.51 2.39 0.00 -1.01 -4.79 105.19 103.71 1iwa n GLY 150 Ca -0.00 -1.57 -0.52 0.00 0.00 0.00 0.00 46.02 43.93 1iwa n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iwa n PRO 151 N -1.89 0.48 0.34 1.61 -0.02 -1.21 -4.10 135.00 130.21 1iwa n PRO 151 Ca 0.00 0.17 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 1iwa n PRO 151 Cb 0.00 -1.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 1iwa n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iwa h ALA 152 N 2.72 -1.10 0.00 3.55 0.00 -1.08 -3.38 119.26 119.97 1iwa h ALA 152 Ca -0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1iwa h ALA 152 Cb 1.40 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 1iwa h ALA 152 CO 0.65 -1.15 -0.76 2.41 0.00 0.00 0.00 179.25 180.41 1iwa n THR 153 N -5.57 1.45 0.00 0.00 -1.04 -1.26 -4.75 114.28 103.11 1iwa n THR 153 Ca -0.13 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1iwa n THR 153 Cb 0.46 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 1iwa n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iwa n GLY 154 N 1.55 -1.02 0.26 3.41 0.00 -1.26 -4.28 105.19 103.86 1iwa n GLY 154 Ca -0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 1iwa n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iwa h VAL 155 N 0.00 0.34 0.94 1.61 2.07 -1.61 0.08 116.25 119.68 1iwa h VAL 155 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1iwa h VAL 155 Cb 0.00 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1iwa h VAL 155 CO 0.00 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.54 1iwa h ILE 156 N -0.06 0.08 -0.16 4.57 1.08 -1.87 -1.95 117.51 119.20 1iwa h ILE 156 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1iwa h ILE 156 Cb 0.48 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1iwa h ILE 156 CO -0.62 0.00 0.11 0.25 -0.69 0.00 0.00 178.15 177.19 1iwa h LEU 157 N -1.26 0.19 -0.08 1.44 5.85 -1.71 -1.97 115.31 117.77 1iwa h LEU 157 Ca -0.13 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1iwa h LEU 157 Cb 0.96 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1iwa h LEU 157 CO 0.21 0.14 0.03 -0.08 -0.34 0.00 0.00 178.44 178.39 1iwa h GLU 158 N 0.22 0.13 -0.53 1.25 4.81 -0.76 -0.07 114.58 119.63 1iwa h GLU 158 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1iwa h GLU 158 Cb -0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1iwa h GLU 158 CO -0.01 0.28 0.23 0.00 -0.73 0.00 0.00 179.01 178.78 1iwa h ARG 159 N -0.06 0.75 -0.52 1.92 3.08 -0.96 -0.15 114.38 118.44 1iwa h ARG 159 Ca 0.03 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1iwa h ARG 159 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1iwa h ARG 159 CO -0.00 0.61 0.06 0.93 -1.07 0.00 0.00 179.97 180.50 1iwa h GLU 160 N 0.75 0.83 0.00 0.04 5.08 -0.99 0.93 114.58 121.22 1iwa h GLU 160 Ca 0.18 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1iwa h GLU 160 Cb 0.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1iwa h GLU 160 CO -0.02 0.79 -0.53 0.00 -1.00 0.00 0.00 179.01 178.25 1iwa h ARG 161 N 0.78 0.00 0.00 2.33 3.08 0.01 -3.21 114.38 117.38 1iwa h ARG 161 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 1iwa h ARG 161 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1iwa h ARG 161 CO 0.01 0.53 -1.18 -0.07 -1.07 0.00 0.00 179.97 178.19 1iwa h LEU 162 N 0.00 0.00 -1.42 3.04 3.38 -0.54 -3.49 115.31 116.28 1iwa h LEU 162 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1iwa h LEU 162 Cb 1.18 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.05 1iwa h LEU 162 CO 0.07 0.27 -0.52 -0.67 0.09 0.00 0.00 178.44 177.69 1iwa n ASP 163 N -2.79 -3.24 -3.75 -0.43 4.64 0.32 -4.38 116.55 106.93 1iwa n ASP 163 Ca -0.04 -0.41 -0.24 0.00 -1.38 0.00 0.00 54.79 52.71 1iwa n ASP 163 Cb 0.69 -3.73 -0.17 0.00 -1.04 0.00 0.00 41.12 36.86 1iwa n ASP 163 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1iwa s LYS 164 N -5.34 0.55 0.20 -0.67 1.02 -1.06 -5.02 119.74 109.42 1iwa s LYS 164 Ca 0.16 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.17 1iwa s LYS 164 Cb -0.07 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.91 1iwa s LYS 164 CO 0.51 -0.41 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.44 1iwa s PHE 165 N 1.97 1.41 -1.97 3.18 0.40 -1.26 -4.71 117.98 116.99 1iwa s PHE 165 Ca 0.03 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1iwa s PHE 165 Cb -0.14 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.60 1iwa s PHE 165 CO -0.06 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.24 1iwa n GLY 166 N -0.32 1.64 3.47 4.36 0.00 -1.26 -4.96 105.19 108.12 1iwa n GLY 166 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1iwa n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwa s ARG 167 N -3.69 0.80 1.07 1.61 1.70 -1.26 -5.04 118.95 114.14 1iwa s ARG 167 Ca 0.00 0.51 -0.13 0.00 -0.47 0.00 0.00 55.73 55.64 1iwa s ARG 167 Cb 0.00 0.38 0.19 0.00 -0.57 0.00 0.00 34.95 34.95 1iwa s ARG 167 CO 0.00 -0.17 0.82 -2.30 -1.08 0.00 0.00 175.30 172.57 1iwa n PRO 168 N 1.99 -1.48 -3.93 3.89 -0.02 -1.15 -4.91 135.00 129.38 1iwa n PRO 168 Ca -0.16 -0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 60.62 1iwa n PRO 168 Cb 0.56 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1iwa n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iwa s LEU 169 N -5.37 4.34 -0.12 2.45 1.43 -0.65 -4.96 118.68 115.79 1iwa s LEU 169 Ca 0.65 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1iwa s LEU 169 Cb -0.22 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1iwa s LEU 169 CO 0.64 0.16 -0.06 -0.76 0.23 0.00 0.00 176.35 176.56 1iwa s LEU 170 N -2.56 3.14 0.12 1.79 1.43 -1.26 -0.50 118.68 120.84 1iwa s LEU 170 Ca 0.35 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1iwa s LEU 170 Cb -0.13 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1iwa s LEU 170 CO 0.28 0.23 0.03 -0.83 0.23 0.00 0.00 176.35 176.29 1iwa s GLY 171 N -0.00 0.94 -0.13 -3.19 0.00 -0.31 0.29 107.32 104.93 1iwa s GLY 171 Ca -0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.12 1iwa s GLY 171 CO 0.03 -1.38 0.39 0.00 0.00 0.00 0.00 173.10 172.14 1iwa s THR 173 N -0.06 5.31 0.27 0.00 2.01 -1.25 -1.13 115.64 120.80 1iwa s THR 173 Ca -0.02 0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 1iwa s THR 173 Cb -0.03 -3.62 -0.14 0.00 0.01 0.00 0.00 72.50 68.72 1iwa s THR 173 CO 0.01 0.37 1.12 0.41 -0.69 0.00 0.00 174.62 175.85 1iwa n THR 174 N 3.77 1.69 -4.04 -0.82 -1.04 -0.95 -4.69 114.28 108.20 1iwa n THR 174 Ca -0.12 -0.42 -0.16 0.00 -2.04 0.00 0.00 64.05 61.31 1iwa n THR 174 Cb 0.52 -1.12 -0.15 0.00 -1.82 0.00 0.00 70.33 67.76 1iwa n THR 174 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1iwa s LYS 175 N -1.27 0.35 0.93 -2.82 -0.14 -1.26 -3.58 119.74 111.95 1iwa s LYS 175 Ca 0.62 -0.07 -0.11 0.00 -1.36 0.00 0.00 55.97 55.05 1iwa s LYS 175 Cb -0.70 -0.40 0.15 0.00 -1.68 0.00 0.00 37.83 35.20 1iwa s LYS 175 CO 0.58 0.00 1.11 -1.25 -0.76 0.00 0.00 175.35 175.04 1iwa s PRO 176 N 0.33 0.90 0.08 -1.68 0.04 -1.26 -5.08 135.00 128.34 1iwa s PRO 176 Ca -0.03 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 1iwa s PRO 176 Cb -0.06 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 1iwa s PRO 176 CO -0.01 -2.64 1.67 0.87 0.04 0.00 0.00 177.00 176.94 1iwa h LYS 177 N -1.86 -0.52 -6.66 4.56 1.57 -1.95 -3.45 116.57 108.26 1iwa h LYS 177 Ca -0.47 0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 57.70 1iwa h LYS 177 Cb 1.27 0.12 -0.22 0.00 0.08 0.00 0.00 32.23 33.48 1iwa h LYS 177 CO 0.45 -0.35 -0.86 -0.51 -0.57 0.00 0.00 179.45 177.62 1iwa s LEU 178 N -10.13 2.30 0.00 2.94 1.43 -1.26 -4.77 118.68 109.18 1iwa s LEU 178 Ca -0.16 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1iwa s LEU 178 Cb 0.05 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1iwa s LEU 178 CO 0.64 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.98 1iwa n GLY 179 N 1.07 3.81 3.74 -3.19 0.00 -1.26 -5.12 105.19 104.24 1iwa n GLY 179 Ca -0.18 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 1iwa n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 180 N 0.00 3.44 0.17 0.99 1.43 -1.26 -4.96 118.68 118.49 1iwa s LEU 180 Ca 0.00 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.22 1iwa s LEU 180 Cb 0.00 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.57 1iwa s LEU 180 CO 0.00 -1.90 0.58 -0.94 0.23 0.00 0.00 176.35 174.32 1iwa s SER 181 N -2.04 6.86 0.13 2.29 1.04 -1.26 -4.76 113.70 115.96 1iwa s SER 181 Ca 0.73 1.13 -0.09 0.00 0.48 0.00 0.00 55.95 58.20 1iwa s SER 181 Cb -0.27 -2.31 0.15 0.00 0.10 0.00 0.00 66.02 63.68 1iwa s SER 181 CO 0.40 0.08 0.87 0.61 0.98 0.00 0.00 173.24 176.18 1iwa n GLY 182 N 0.73 -1.13 0.48 7.32 0.00 -1.26 0.61 105.19 111.94 1iwa n GLY 182 Ca -0.04 0.62 -0.17 0.00 0.00 0.00 0.00 46.02 46.43 1iwa n GLY 182 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1iwa h LYS 183 N 0.00 -0.75 0.00 1.61 1.63 -1.93 -1.40 116.57 115.73 1iwa h LYS 183 Ca 0.20 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1iwa h LYS 183 Cb 0.34 0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1iwa h LYS 183 CO -0.56 -0.50 -0.10 -0.91 -3.45 0.00 0.00 179.45 173.93 1iwa h ASN 184 N -0.78 0.00 -0.09 4.20 2.35 -0.20 -2.66 115.58 118.40 1iwa h ASN 184 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1iwa h ASN 184 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1iwa h ASN 184 CO -0.26 0.10 -0.01 0.22 -1.65 0.00 0.00 177.43 175.83 1iwa h TYR 185 N 0.00 0.18 -0.59 1.19 3.20 0.67 -3.01 116.97 118.62 1iwa h TYR 185 Ca -0.00 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1iwa h TYR 185 Cb 0.48 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1iwa h TYR 185 CO 0.00 0.45 0.39 0.78 -1.64 0.00 0.00 178.16 178.13 1iwa h GLY 186 N -0.14 0.75 0.74 1.82 0.00 -0.93 -1.91 103.07 103.39 1iwa h GLY 186 Ca 0.02 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1iwa h GLY 186 CO 0.01 0.21 0.61 -0.09 0.00 0.00 0.00 176.54 177.28 1iwa h ARG 187 N 0.63 1.09 -0.15 4.80 9.65 -1.37 0.27 114.38 129.29 1iwa h ARG 187 Ca 0.24 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1iwa h ARG 187 Cb 0.17 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1iwa h ARG 187 CO -0.07 0.72 -0.03 0.28 2.80 0.00 0.00 179.97 183.67 1iwa h VAL 188 N 1.12 1.28 -0.92 0.20 2.07 -1.34 -1.77 116.25 116.89 1iwa h VAL 188 Ca 0.41 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1iwa h VAL 188 Cb 0.16 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1iwa h VAL 188 CO -0.17 0.28 0.57 0.58 0.02 0.00 0.00 177.57 178.85 1iwa h VAL 189 N 0.00 0.99 -0.05 2.57 2.07 -0.91 -1.36 116.25 119.57 1iwa h VAL 189 Ca 0.04 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1iwa h VAL 189 Cb 0.45 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1iwa h VAL 189 CO 0.01 0.18 -0.02 0.22 0.02 0.00 0.00 177.57 177.99 1iwa h TYR 190 N 0.99 0.11 -0.61 1.57 3.20 -0.37 -2.45 116.97 119.39 1iwa h TYR 190 Ca 0.42 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.29 1iwa h TYR 190 Cb 0.29 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1iwa h TYR 190 CO -0.02 0.47 0.38 0.93 -1.64 0.00 0.00 178.16 178.27 1iwa h GLU 191 N -0.29 0.73 -0.24 1.82 4.39 -1.01 -1.03 114.58 118.95 1iwa h GLU 191 Ca 0.01 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1iwa h GLU 191 Cb 0.44 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1iwa h GLU 191 CO 0.01 0.48 -0.18 0.00 -1.16 0.00 0.00 179.01 178.16 1iwa h ALA 192 N 1.26 0.35 -0.14 3.43 0.00 -1.30 -0.50 119.26 122.36 1iwa h ALA 192 Ca 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iwa h ALA 192 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1iwa h ALA 192 CO -0.10 0.27 0.00 -0.07 0.00 0.00 0.00 179.25 179.35 1iwa h LEU 193 N 0.26 0.24 -1.32 0.00 3.38 -1.36 -2.46 115.31 114.05 1iwa h LEU 193 Ca 0.05 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1iwa h LEU 193 Cb 0.71 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1iwa h LEU 193 CO 0.05 0.48 0.49 0.50 0.09 0.00 0.00 178.44 180.05 1iwa h LYS 194 N -0.02 0.85 0.00 1.13 3.64 -1.21 -2.25 116.57 118.71 1iwa h LYS 194 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1iwa h LYS 194 Cb 0.36 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1iwa h LYS 194 CO 0.01 0.56 -0.17 0.78 -2.27 0.00 0.00 179.45 178.36 1iwa h GLY 195 N 0.87 0.00 0.00 5.01 0.00 -0.80 -3.46 103.07 104.70 1iwa h GLY 195 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1iwa h GLY 195 CO -0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.06 1iwa n GLY 196 N -1.00 -0.67 3.85 4.60 0.00 -0.85 -1.95 105.19 109.17 1iwa n GLY 196 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1iwa n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 197 N 0.00 3.49 -0.13 0.99 1.43 -0.95 -4.70 118.68 118.81 1iwa s LEU 197 Ca 0.00 1.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1iwa s LEU 197 Cb 0.00 -4.50 -0.24 0.00 0.03 0.00 0.00 46.19 41.49 1iwa s LEU 197 CO 0.00 -0.68 0.32 0.47 0.23 0.00 0.00 176.35 176.69 1iwa n ASP 198 N -1.96 1.57 -4.27 2.29 8.00 0.15 -4.65 116.55 117.68 1iwa n ASP 198 Ca 0.06 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.61 1iwa n ASP 198 Cb 0.54 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 1iwa n ASP 198 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1iwa s PHE 199 N -2.56 1.32 0.06 1.24 0.08 -0.26 -3.24 117.98 114.61 1iwa s PHE 199 Ca -0.19 -1.03 -0.01 0.00 0.12 0.00 0.00 56.93 55.83 1iwa s PHE 199 Cb 0.07 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 1iwa s PHE 199 CO 0.76 -0.20 -0.03 0.08 -0.10 0.00 0.00 175.22 175.73 1iwa s VAL 200 N -3.63 0.27 0.06 -0.44 1.01 -1.09 -2.83 120.40 113.75 1iwa s VAL 200 Ca 0.27 -1.81 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 1iwa s VAL 200 Cb 0.06 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1iwa s VAL 200 CO 0.06 -0.98 0.42 -1.59 0.00 0.00 0.00 175.10 173.02 1iwa s LYS 201 N -3.88 0.97 0.65 2.72 -2.85 -0.28 -0.57 119.74 116.50 1iwa s LYS 201 Ca 0.07 -0.43 -0.11 0.00 -1.00 0.00 0.00 55.97 54.50 1iwa s LYS 201 Cb 0.07 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1iwa s LYS 201 CO -0.09 -0.35 1.04 -0.51 0.10 0.00 0.00 175.35 175.54 1iwa s ASP 202 N -2.20 5.92 0.76 0.03 1.01 -1.10 -2.25 116.67 118.85 1iwa s ASP 202 Ca -0.03 1.49 -0.07 0.00 0.71 0.00 0.00 52.55 54.65 1iwa s ASP 202 Cb -0.00 -2.48 0.11 0.00 1.01 0.00 0.00 42.92 41.56 1iwa s ASP 202 CO -0.05 -1.08 1.07 -0.62 0.21 0.00 0.00 175.17 174.70 1iwa s ASP 203 N -4.03 4.35 0.35 0.27 3.68 -1.26 -4.87 116.67 115.15 1iwa s ASP 203 Ca 0.56 0.20 0.03 0.00 2.13 0.00 0.00 52.55 55.46 1iwa s ASP 203 Cb -0.12 -0.66 0.64 0.00 -1.45 0.00 0.00 42.92 41.33 1iwa s ASP 203 CO 0.54 -1.89 2.00 1.05 0.13 0.00 0.00 175.17 177.00 1iwa h GLU 204 N -0.78 0.79 -0.00 4.34 9.09 -1.99 -2.53 114.58 123.49 1iwa h GLU 204 Ca -0.42 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1iwa h GLU 204 Cb 1.29 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1iwa h GLU 204 CO 0.50 0.55 -0.07 0.27 0.05 0.00 0.00 179.01 180.30 1iwa n ASN 205 N -4.43 0.55 -4.53 3.06 0.23 -1.26 -4.72 115.26 104.16 1iwa n ASN 205 Ca 0.06 -0.79 -0.43 0.00 -0.53 0.00 0.00 54.58 52.89 1iwa n ASN 205 Cb 0.06 -0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 37.67 1iwa n ASN 205 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1iwa s ILE 206 N -2.32 4.32 0.00 1.53 -1.09 -0.96 -4.79 121.20 117.90 1iwa s ILE 206 Ca 0.34 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1iwa s ILE 206 Cb 0.21 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1iwa s ILE 206 CO 0.43 -1.18 0.00 0.59 -1.23 0.00 0.00 174.94 173.56 1iwa n ASN 207 N 7.64 0.00 -3.21 3.58 5.03 -1.26 -4.73 115.26 122.31 1iwa n ASN 207 Ca 0.02 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.47 1iwa n ASN 207 Cb 0.48 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.21 1iwa n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iwa s SER 208 N 1.00 -0.89 0.39 6.41 0.15 -1.26 -4.01 113.70 115.50 1iwa s SER 208 Ca 0.00 0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1iwa s SER 208 Cb 0.00 1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 66.03 1iwa s SER 208 CO 0.00 -0.30 0.08 -1.10 1.20 0.00 0.00 173.24 173.12 1iwa s GLN 209 N 2.74 1.87 0.58 5.44 1.11 -0.65 -4.90 119.66 125.84 1iwa s GLN 209 Ca 0.13 -2.11 0.28 0.00 0.01 0.00 0.00 55.36 53.67 1iwa s GLN 209 Cb -0.13 -0.89 1.60 0.00 -1.01 0.00 0.00 33.01 32.58 1iwa s GLN 209 CO -0.24 -0.33 2.08 -1.35 0.01 0.00 0.00 175.29 175.46 1iwa h PRO 210 N 1.84 0.00 0.00 2.91 0.11 -2.02 -1.77 132.00 133.08 1iwa h PRO 210 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1iwa h PRO 210 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1iwa h PRO 210 CO 0.65 0.00 -0.55 0.27 -0.21 0.00 0.00 178.00 178.16 1iwa h PHE 211 N 0.00 0.00 -0.67 0.65 -5.15 -1.96 -3.45 116.94 106.35 1iwa h PHE 211 Ca 0.10 0.00 0.20 0.00 -0.20 0.00 0.00 57.97 58.08 1iwa h PHE 211 Cb 0.55 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.49 1iwa h PHE 211 CO 0.00 0.00 0.22 1.41 -2.00 0.00 0.00 178.31 177.94 1iwa s MET 212 N -3.18 0.23 0.60 6.09 0.00 -0.67 -4.76 119.30 117.61 1iwa s MET 212 Ca 0.06 0.53 -0.07 0.00 0.00 0.00 0.00 55.69 56.21 1iwa s MET 212 Cb 0.12 0.31 0.00 0.00 0.00 0.00 0.00 34.83 35.27 1iwa s MET 212 CO 0.71 -0.14 0.93 1.03 0.00 0.00 0.00 175.02 177.55 1iwa s ARG 213 N 2.56 3.00 0.08 4.11 1.81 -1.20 -1.64 118.95 127.67 1iwa s ARG 213 Ca -0.01 0.14 -0.20 0.00 -1.72 0.00 0.00 55.73 53.94 1iwa s ARG 213 Cb -0.07 -2.23 -0.10 0.00 -0.45 0.00 0.00 34.95 32.10 1iwa s ARG 213 CO -0.15 -0.71 1.56 0.11 -0.68 0.00 0.00 175.30 175.42 1iwa h TRP 214 N -0.23 0.31 -0.92 -0.53 5.08 -1.91 -3.32 115.95 114.44 1iwa h TRP 214 Ca -0.45 -0.04 0.19 0.00 1.08 0.00 0.00 58.89 59.67 1iwa h TRP 214 Cb 1.25 -0.09 -0.11 0.00 -3.00 0.00 0.00 29.16 27.21 1iwa h TRP 214 CO 0.50 0.43 0.48 0.00 -1.28 0.00 0.00 178.44 178.57 1iwa h ARG 215 N 0.09 0.57 -0.65 0.12 3.08 -1.95 -0.72 114.38 114.92 1iwa h ARG 215 Ca 0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1iwa h ARG 215 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1iwa h ARG 215 CO 0.00 0.37 0.31 0.93 -1.07 0.00 0.00 179.97 180.52 1iwa h GLU 216 N 0.58 0.93 -0.64 0.04 3.07 -1.99 -1.67 114.58 114.91 1iwa h GLU 216 Ca 0.54 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1iwa h GLU 216 Cb 0.90 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 1iwa h GLU 216 CO -0.43 0.74 0.41 -0.09 -1.40 0.00 0.00 179.01 178.24 1iwa h ARG 217 N 0.90 0.86 -0.21 2.33 2.43 -1.27 -0.36 114.38 119.06 1iwa h ARG 217 Ca 0.22 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1iwa h ARG 217 Cb 0.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1iwa h ARG 217 CO -0.03 0.59 0.08 1.88 -1.51 0.00 0.00 179.97 180.99 1iwa h TYR 218 N 0.87 0.33 0.13 2.20 -1.99 -1.09 -0.18 116.97 117.23 1iwa h TYR 218 Ca 0.23 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 1iwa h TYR 218 Cb -0.06 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.57 1iwa h TYR 218 CO -0.02 0.37 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.37 1iwa h LEU 219 N 0.19 -0.14 -0.55 3.88 4.07 -1.02 -1.93 115.31 119.80 1iwa h LEU 219 Ca 0.07 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.88 1iwa h LEU 219 Cb 0.18 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1iwa h LEU 219 CO -0.01 -0.09 -0.36 -0.26 -1.08 0.00 0.00 178.44 176.65 1iwa h PHE 220 N -0.18 0.92 -0.30 1.13 -1.00 -1.07 -2.94 116.94 113.50 1iwa h PHE 220 Ca -0.02 -0.26 -0.07 0.00 2.81 0.00 0.00 57.97 60.43 1iwa h PHE 220 Cb 0.14 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1iwa h PHE 220 CO -0.07 1.02 -0.11 1.15 -1.61 0.00 0.00 178.31 178.69 1iwa h THR 221 N 0.64 1.23 0.00 -1.55 2.02 -0.96 -0.94 112.91 113.35 1iwa h THR 221 Ca 0.06 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 1iwa h THR 221 Cb 0.91 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1iwa h THR 221 CO 0.08 0.33 -0.51 0.24 0.37 0.00 0.00 175.52 176.03 1iwa h MET 222 N 0.47 0.00 -0.31 6.66 2.86 -1.30 0.56 114.93 123.87 1iwa h MET 222 Ca 0.09 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1iwa h MET 222 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1iwa h MET 222 CO 0.03 0.51 -0.32 1.49 1.06 0.00 0.00 176.91 179.67 1iwa h GLU 223 N 0.00 0.78 -0.49 1.72 4.57 -1.23 -0.40 114.58 119.53 1iwa h GLU 223 Ca -0.01 -0.41 -0.10 0.00 -1.18 0.00 0.00 59.36 57.66 1iwa h GLU 223 Cb 1.07 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1iwa h GLU 223 CO 0.07 1.04 -0.08 0.00 -1.18 0.00 0.00 179.01 178.86 1iwa h ALA 224 N 0.72 0.67 -0.39 2.92 0.00 -0.73 -2.06 119.26 120.39 1iwa h ALA 224 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1iwa h ALA 224 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1iwa h ALA 224 CO 0.08 0.54 0.17 0.28 0.00 0.00 0.00 179.25 180.32 1iwa h VAL 225 N 0.77 1.19 0.00 0.00 2.07 0.26 -1.36 116.25 119.18 1iwa h VAL 225 Ca 0.13 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1iwa h VAL 225 Cb 0.62 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1iwa h VAL 225 CO 0.04 0.21 -0.23 0.78 0.02 0.00 0.00 177.57 178.39 1iwa h ASN 226 N 0.49 0.00 -0.08 0.57 2.35 -1.00 -2.65 115.58 115.25 1iwa h ASN 226 Ca 0.13 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 1iwa h ASN 226 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1iwa h ASN 226 CO -0.01 0.23 -0.34 0.11 -1.65 0.00 0.00 177.43 175.77 1iwa h LYS 227 N 0.00 0.37 -0.92 0.81 1.57 -1.00 -2.25 116.57 115.15 1iwa h LYS 227 Ca -0.00 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1iwa h LYS 227 Cb 0.75 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.05 1iwa h LYS 227 CO 0.03 0.93 0.57 0.00 -0.57 0.00 0.00 179.45 180.41 1iwa h ALA 228 N 0.45 1.30 0.08 3.86 0.00 -1.13 0.74 119.26 124.56 1iwa h ALA 228 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 228 Cb 0.98 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1iwa h ALA 228 CO 0.07 0.27 -0.04 1.03 0.00 0.00 0.00 179.25 180.58 1iwa h SER 229 N 0.99 -0.09 0.40 0.00 0.87 -1.45 -1.52 113.55 112.74 1iwa h SER 229 Ca 0.42 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1iwa h SER 229 Cb 0.28 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1iwa h SER 229 CO -0.21 0.12 -0.05 0.00 -0.53 0.00 0.00 176.83 176.16 1iwa h ALA 230 N 0.59 1.14 -0.00 6.23 0.00 -0.92 0.26 119.26 126.56 1iwa h ALA 230 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iwa h ALA 230 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iwa h ALA 230 CO 0.02 0.07 -0.44 0.00 0.00 0.00 0.00 179.25 178.90 1iwa n ALA 231 N -2.18 3.45 0.00 0.00 0.00 0.21 -4.43 120.51 117.56 1iwa n ALA 231 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1iwa n ALA 231 Cb 0.20 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1iwa n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iwa n THR 232 N -1.14 0.00 -1.15 0.00 -2.24 -0.61 -5.02 114.28 104.12 1iwa n THR 232 Ca 0.08 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1iwa n THR 232 Cb 0.34 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1iwa n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwa n GLY 233 N 0.77 0.77 3.61 3.38 0.00 0.86 -5.03 105.19 109.54 1iwa n GLY 233 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 1iwa n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iwa s GLU 234 N -2.42 2.07 -0.40 1.61 2.02 -1.23 -5.08 118.70 115.27 1iwa s GLU 234 Ca 0.00 -1.67 -0.24 0.00 0.02 0.00 0.00 54.97 53.08 1iwa s GLU 234 Cb 0.00 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.28 1iwa s GLU 234 CO 0.00 0.22 0.82 0.08 0.02 0.00 0.00 175.26 176.40 1iwa s VAL 235 N -2.47 4.67 0.23 2.63 1.01 -1.26 -4.48 120.40 120.72 1iwa s VAL 235 Ca 0.33 0.80 0.06 0.00 0.00 0.00 0.00 61.98 63.17 1iwa s VAL 235 Cb -0.02 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1iwa s VAL 235 CO 0.19 -0.56 0.24 -0.54 0.00 0.00 0.00 175.10 174.44 1iwa s LYS 236 N 3.26 3.13 0.00 2.72 -0.14 -1.26 -4.99 119.74 122.45 1iwa s LYS 236 Ca 0.32 -0.89 -0.27 0.00 -1.36 0.00 0.00 55.97 53.77 1iwa s LYS 236 Cb -0.12 -2.71 0.06 0.00 -1.68 0.00 0.00 37.83 33.38 1iwa s LYS 236 CO 0.20 0.43 0.62 0.20 -0.76 0.00 0.00 175.35 176.04 1iwa s GLY 237 N -3.71 -0.53 -0.06 -3.33 0.00 -1.20 -4.75 107.32 93.73 1iwa s GLY 237 Ca 0.33 1.00 0.01 0.00 0.00 0.00 0.00 44.72 46.06 1iwa s GLY 237 CO 0.26 0.66 -0.06 -1.58 0.00 0.00 0.00 173.10 172.38 1iwa s HIS 238 N -1.83 1.03 -0.70 1.90 2.46 -1.26 -2.68 115.29 114.21 1iwa s HIS 238 Ca -0.08 -0.36 -0.26 0.00 0.47 0.00 0.00 55.06 54.83 1iwa s HIS 238 Cb -0.01 -0.87 -0.08 0.00 -0.13 0.00 0.00 32.58 31.50 1iwa s HIS 238 CO 0.04 -0.28 2.22 0.71 -2.47 0.00 0.00 174.74 174.96 1iwa s TYR 239 N 1.10 1.35 -0.28 3.88 1.51 0.26 -4.63 117.35 120.54 1iwa s TYR 239 Ca -0.08 1.39 -0.29 0.00 -1.01 0.00 0.00 57.07 57.08 1iwa s TYR 239 Cb -0.14 -3.71 0.01 0.00 -0.11 0.00 0.00 41.96 38.01 1iwa s TYR 239 CO -0.01 -1.99 1.08 -0.51 -1.11 0.00 0.00 175.55 173.01 1iwa s LEU 240 N 12.15 4.01 -0.22 -1.29 1.43 -1.25 -2.69 118.68 130.82 1iwa s LEU 240 Ca 0.85 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.87 1iwa s LEU 240 Cb -0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1iwa s LEU 240 CO 0.13 -0.80 1.16 0.21 0.23 0.00 0.00 176.35 177.28 1iwa s ASN 241 N 1.55 6.97 0.00 2.29 3.04 -1.26 -1.41 114.94 126.12 1iwa s ASN 241 Ca 0.46 1.45 0.20 0.00 0.04 0.00 0.00 52.86 55.00 1iwa s ASN 241 Cb -0.14 -2.54 0.45 0.00 -1.54 0.00 0.00 41.25 37.48 1iwa s ASN 241 CO 0.12 -0.77 1.37 1.33 -3.04 0.00 0.00 177.10 176.11 1iwa n VAL 242 N 5.50 0.73 -1.68 -5.21 0.24 -0.74 -4.88 118.33 112.28 1iwa n VAL 242 Ca 0.13 -0.86 -0.45 0.00 -2.04 0.00 0.00 64.34 61.11 1iwa n VAL 242 Cb 0.46 0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 33.54 1iwa n VAL 242 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1iwa n THR 243 N 1.28 0.03 -3.98 3.34 -1.04 -1.26 -4.45 114.28 108.20 1iwa n THR 243 Ca 0.18 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 62.08 1iwa n THR 243 Cb 0.55 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 1iwa n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa s ALA 244 N 1.11 -0.06 0.07 2.41 0.00 -1.26 -4.86 121.76 119.18 1iwa s ALA 244 Ca 0.79 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 1iwa s ALA 244 Cb -0.64 1.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.38 1iwa s ALA 244 CO 0.37 -0.87 1.42 0.00 0.00 0.00 0.00 175.76 176.69 1iwa h ALA 245 N 2.14 0.33 -2.94 0.00 0.00 -1.96 -3.46 119.26 113.37 1iwa h ALA 245 Ca -0.28 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 1iwa h ALA 245 Cb 1.25 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1iwa h ALA 245 CO 0.37 0.20 -0.74 0.95 0.00 0.00 0.00 179.25 180.03 1iwa s THR 246 N -4.53 3.00 0.31 0.00 -4.23 -1.26 -5.03 115.64 103.90 1iwa s THR 246 Ca -0.13 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1iwa s THR 246 Cb 0.07 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.71 1iwa s THR 246 CO 0.78 -0.15 1.86 -0.03 -0.54 0.00 0.00 174.62 176.54 1iwa h MET 247 N 2.85 0.89 -0.34 3.99 4.05 -2.00 -1.97 114.93 122.40 1iwa h MET 247 Ca -0.46 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 58.89 1iwa h MET 247 Cb 1.21 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.80 1iwa h MET 247 CO 0.54 0.59 0.16 0.93 0.23 0.00 0.00 176.91 179.36 1iwa h GLU 248 N 0.92 0.49 -0.35 0.39 3.07 -1.99 -2.06 114.58 115.04 1iwa h GLU 248 Ca 0.46 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.22 1iwa h GLU 248 Cb 0.49 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1iwa h GLU 248 CO -0.22 0.45 0.09 1.49 -1.40 0.00 0.00 179.01 179.41 1iwa h GLU 249 N 0.41 0.51 0.03 2.33 4.57 -1.79 -1.79 114.58 118.86 1iwa h GLU 249 Ca 0.12 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1iwa h GLU 249 Cb 0.12 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1iwa h GLU 249 CO -0.01 0.47 -0.01 0.52 -1.18 0.00 0.00 179.01 178.80 1iwa h MET 250 N 0.51 -0.04 -0.67 1.92 2.86 -1.14 -2.78 114.93 115.58 1iwa h MET 250 Ca 0.12 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.88 1iwa h MET 250 Cb 0.19 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 1iwa h MET 250 CO -0.00 0.35 0.25 1.88 1.06 0.00 0.00 176.91 180.44 1iwa h TYR 251 N -0.43 0.43 -0.93 -0.22 0.05 -1.10 0.24 116.97 115.01 1iwa h TYR 251 Ca -0.00 0.03 0.14 0.00 0.05 0.00 0.00 58.73 58.95 1iwa h TYR 251 Cb 0.40 -0.09 -0.08 0.00 1.01 0.00 0.00 36.73 37.97 1iwa h TYR 251 CO 0.06 0.08 0.59 0.00 -1.05 0.00 0.00 178.16 177.84 1iwa h ALA 252 N 1.47 1.72 0.20 3.88 0.00 -1.23 0.37 119.26 125.68 1iwa h ALA 252 Ca 0.35 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.96 1iwa h ALA 252 Cb 0.48 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1iwa h ALA 252 CO -0.35 0.03 -1.38 0.00 0.00 0.00 0.00 179.25 177.55 1iwa h ARG 253 N 0.79 0.52 -0.51 0.00 3.08 -0.68 -2.79 114.38 114.79 1iwa h ARG 253 Ca 0.47 -0.83 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 1iwa h ARG 253 Cb 0.65 0.30 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1iwa h ARG 253 CO -0.23 1.39 0.12 0.00 -1.07 0.00 0.00 179.97 180.18 1iwa h ALA 254 N 0.27 0.68 -0.41 0.04 0.00 0.27 -2.14 119.26 117.97 1iwa h ALA 254 Ca -0.22 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1iwa h ALA 254 Cb 2.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1iwa h ALA 254 CO 0.26 0.37 -0.11 -0.91 0.00 0.00 0.00 179.25 178.86 1iwa h ASN 255 N 0.71 0.71 -0.30 0.00 -0.26 -0.38 -1.23 115.58 114.83 1iwa h ASN 255 Ca 0.16 -0.21 -0.09 0.00 -0.56 0.00 0.00 56.30 55.61 1iwa h ASN 255 Cb 0.34 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1iwa h ASN 255 CO 0.00 0.85 -0.11 0.15 -1.06 0.00 0.00 177.43 177.26 1iwa h PHE 256 N 0.66 0.79 -0.13 1.19 3.57 -1.31 0.39 116.94 122.10 1iwa h PHE 256 Ca 0.11 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1iwa h PHE 256 Cb 0.57 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1iwa h PHE 256 CO 0.03 0.80 -0.31 0.00 -2.23 0.00 0.00 178.31 176.59 1iwa h ALA 257 N 1.22 1.25 -0.10 2.41 0.00 -0.98 -1.53 119.26 121.54 1iwa h ALA 257 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1iwa h ALA 257 Cb 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iwa h ALA 257 CO 0.04 0.51 -0.11 -0.22 0.00 0.00 0.00 179.25 179.47 1iwa h LYS 258 N 0.21 0.24 -0.61 0.00 3.64 -0.13 -2.07 116.57 117.86 1iwa h LYS 258 Ca 0.03 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1iwa h LYS 258 Cb 0.66 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 1iwa h LYS 258 CO 0.05 0.67 0.26 0.93 -2.27 0.00 0.00 179.45 179.09 1iwa h GLU 259 N -0.17 0.45 0.00 1.90 5.08 0.04 -2.26 114.58 119.62 1iwa h GLU 259 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1iwa h GLU 259 Cb 0.63 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1iwa h GLU 259 CO 0.03 0.30 0.00 1.28 -1.00 0.00 0.00 179.01 179.61 1iwa n LEU 260 N -4.95 0.00 0.00 1.33 4.77 -0.60 -4.90 117.00 112.65 1iwa n LEU 260 Ca 0.08 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1iwa n LEU 260 Cb 0.25 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1iwa n LEU 260 CO 0.24 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1iwa n GLY 261 N 0.61 0.76 3.63 -0.72 0.00 -0.85 -5.03 105.19 103.59 1iwa n GLY 261 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 1iwa n GLY 261 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iwa n SER 262 N 0.00 2.12 0.07 1.61 2.88 -0.79 -4.86 113.62 114.65 1iwa n SER 262 Ca 0.00 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 1iwa n SER 262 Cb 0.00 -1.33 0.36 0.00 -0.75 0.00 0.00 64.21 62.49 1iwa n SER 262 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1iwa n VAL 263 N 1.78 0.42 -3.65 2.46 3.14 -1.26 -4.79 118.33 116.44 1iwa n VAL 263 Ca 0.13 -0.23 -0.11 0.00 -2.96 0.00 0.00 64.34 61.17 1iwa n VAL 263 Cb 0.28 -0.41 -0.05 0.00 -1.06 0.00 0.00 33.84 32.60 1iwa n VAL 263 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 1iwa s ILE 264 N -3.10 0.07 0.15 1.55 2.07 -1.26 -2.29 121.20 118.39 1iwa s ILE 264 Ca 0.10 -0.54 -0.09 0.00 -1.41 0.00 0.00 60.65 58.71 1iwa s ILE 264 Cb 0.14 -1.09 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 1iwa s ILE 264 CO 0.63 -0.30 0.27 0.27 -1.91 0.00 0.00 174.94 173.90 1iwa s ILE 265 N -3.32 0.08 0.14 2.00 -4.36 -0.28 -3.75 121.20 111.72 1iwa s ILE 265 Ca -0.00 -1.33 0.06 0.00 -0.26 0.00 0.00 60.65 59.12 1iwa s ILE 265 Cb 0.01 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1iwa s ILE 265 CO -0.08 -0.35 -0.13 0.00 0.24 0.00 0.00 174.94 174.61 1iwa s MET 266 N -3.95 1.10 0.03 0.37 0.23 -0.50 -0.62 119.30 115.97 1iwa s MET 266 Ca 0.15 -1.36 0.01 0.00 -1.03 0.00 0.00 55.69 53.46 1iwa s MET 266 Cb 0.03 -0.90 -0.02 0.00 -1.53 0.00 0.00 34.83 32.41 1iwa s MET 266 CO -0.02 0.16 -0.05 0.96 -2.03 0.00 0.00 175.02 174.04 1iwa s ILE 267 N -2.55 0.29 -0.04 3.16 -4.36 0.38 -1.80 121.20 116.28 1iwa s ILE 267 Ca 0.13 -1.07 -0.16 0.00 -0.26 0.00 0.00 60.65 59.30 1iwa s ILE 267 Cb -0.03 -0.52 -0.05 0.00 1.25 0.00 0.00 42.46 43.11 1iwa s ILE 267 CO 0.03 -0.50 0.43 -1.81 0.24 0.00 0.00 174.94 173.33 1iwa s ASP 268 N -1.65 6.77 0.63 4.36 1.01 -1.26 -1.29 116.67 125.24 1iwa s ASP 268 Ca -0.11 0.92 0.33 0.00 0.71 0.00 0.00 52.55 54.39 1iwa s ASP 268 Cb -0.08 -2.26 1.80 0.00 1.01 0.00 0.00 42.92 43.38 1iwa s ASP 268 CO -0.01 0.22 2.08 0.25 0.21 0.00 0.00 175.17 177.92 1iwa h LEU 270 N 5.34 0.00 -0.70 1.23 5.85 -0.98 -1.32 115.31 124.73 1iwa h LEU 270 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1iwa h LEU 270 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iwa h LEU 270 CO 0.66 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.31 1iwa n VAL 271 N -3.32 1.06 0.21 1.05 3.14 -1.26 -2.35 118.33 116.86 1iwa n VAL 271 Ca -0.00 0.41 0.07 0.00 -2.96 0.00 0.00 64.34 61.86 1iwa n VAL 271 Cb 0.32 -1.34 0.43 0.00 -1.06 0.00 0.00 33.84 32.19 1iwa n VAL 271 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 1iwa h ILE 272 N 0.00 0.86 0.00 1.55 3.07 -1.63 -3.49 117.51 117.87 1iwa h ILE 272 Ca 0.00 -1.25 0.00 0.00 1.55 0.00 0.00 64.86 65.16 1iwa h ILE 272 Cb 0.20 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1iwa h ILE 272 CO 0.00 0.30 0.00 0.61 -1.05 0.00 0.00 178.15 178.01 1iwa n GLY 273 N -0.08 2.66 0.22 0.16 0.00 -0.99 -4.61 105.19 102.54 1iwa n GLY 273 Ca -0.01 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 1iwa n GLY 273 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iwa h TYR 274 N 0.00 -0.32 -0.68 1.61 0.05 -1.95 -0.15 116.97 115.54 1iwa h TYR 274 Ca 0.00 0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1iwa h TYR 274 Cb 0.00 0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 1iwa h TYR 274 CO 0.00 -0.24 0.29 1.15 -1.05 0.00 0.00 178.16 178.31 1iwa h THR 275 N -0.02 1.24 -0.10 -2.88 2.02 -1.99 -0.66 112.91 110.52 1iwa h THR 275 Ca 0.25 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 1iwa h THR 275 Cb 0.39 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1iwa h THR 275 CO -0.54 0.29 -0.48 0.00 0.37 0.00 0.00 175.52 175.16 1iwa h ALA 276 N 1.13 1.01 -0.08 6.16 0.00 -1.69 -1.69 119.26 124.09 1iwa h ALA 276 Ca 0.23 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1iwa h ALA 276 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iwa h ALA 276 CO -0.02 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.68 1iwa h ILE 277 N 0.20 1.26 -0.24 0.00 2.04 -0.61 -1.28 117.51 118.88 1iwa h ILE 277 Ca 0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1iwa h ILE 277 Cb 0.92 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1iwa h ILE 277 CO 0.07 0.23 0.08 1.56 0.00 0.00 0.00 178.15 180.09 1iwa h GLN 278 N -0.15 0.34 -0.30 2.37 4.20 -1.06 0.21 115.11 120.72 1iwa h GLN 278 Ca 0.02 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1iwa h GLN 278 Cb 0.36 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1iwa h GLN 278 CO 0.01 0.30 -0.06 1.15 -0.67 0.00 0.00 178.83 179.55 1iwa h THR 279 N 0.34 1.28 0.00 -0.54 2.02 -1.07 -2.58 112.91 112.36 1iwa h THR 279 Ca 0.09 -1.09 -0.11 0.00 0.77 0.00 0.00 66.41 66.07 1iwa h THR 279 Cb 0.10 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1iwa h THR 279 CO -0.01 0.35 -0.51 0.24 0.37 0.00 0.00 175.52 175.96 1iwa h MET 280 N 0.35 0.00 -0.60 6.66 2.86 -0.51 -2.26 114.93 121.42 1iwa h MET 280 Ca 0.08 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1iwa h MET 280 Cb 0.54 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1iwa h MET 280 CO 0.03 0.51 0.21 0.00 1.06 0.00 0.00 176.91 178.72 1iwa h ALA 281 N 1.49 1.23 -0.05 6.32 0.00 -0.38 -0.61 119.26 127.25 1iwa h ALA 281 Ca -0.01 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1iwa h ALA 281 Cb 0.92 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1iwa h ALA 281 CO 0.07 0.55 -0.64 -0.22 0.00 0.00 0.00 179.25 179.01 1iwa h LYS 282 N 0.88 0.52 -0.79 0.00 3.64 -1.23 -2.49 116.57 117.10 1iwa h LYS 282 Ca 0.20 -0.49 0.08 0.00 -1.27 0.00 0.00 60.65 59.17 1iwa h LYS 282 Cb 0.22 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1iwa h LYS 282 CO -0.01 1.13 0.45 2.35 -2.27 0.00 0.00 179.45 181.10 1iwa h TRP 283 N 0.09 0.82 -0.25 1.91 7.01 -1.15 -0.62 115.95 123.76 1iwa h TRP 283 Ca -0.07 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.88 1iwa h TRP 283 Cb 1.32 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 1iwa h TRP 283 CO 0.12 0.35 -0.21 0.00 -2.79 0.00 0.00 178.44 175.92 1iwa h ALA 284 N 1.43 1.17 -0.06 2.65 0.00 -1.10 0.02 119.26 123.37 1iwa h ALA 284 Ca 0.38 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1iwa h ALA 284 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 284 CO -0.23 0.53 -0.55 -0.09 0.00 0.00 0.00 179.25 178.91 1iwa h ARG 285 N 0.42 0.18 0.00 0.00 9.65 -0.78 -2.55 114.38 121.30 1iwa h ARG 285 Ca 0.07 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1iwa h ARG 285 Cb 0.60 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1iwa h ARG 285 CO 0.04 0.68 -0.51 -0.44 2.80 0.00 0.00 179.97 182.55 1iwa h ASP 286 N 0.14 0.00 -0.04 -3.80 3.45 -0.78 -3.35 116.42 112.03 1iwa h ASP 286 Ca -0.00 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.42 1iwa h ASP 286 Cb 1.01 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1iwa h ASP 286 CO 0.08 0.02 -0.01 0.59 -1.57 0.00 0.00 179.24 178.35 1iwa n ASN 287 N -2.66 2.57 -3.92 6.45 3.02 -0.04 -5.01 115.26 115.67 1iwa n ASN 287 Ca 0.02 -3.10 -0.33 0.00 -0.03 0.00 0.00 54.58 51.14 1iwa n ASN 287 Cb 0.51 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1iwa n ASN 287 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iwa n ASP 288 N -1.29 -2.90 -4.26 6.41 10.43 -1.00 -4.98 116.55 118.96 1iwa n ASP 288 Ca 0.17 -1.10 -0.24 0.00 2.57 0.00 0.00 54.79 56.18 1iwa n ASP 288 Cb 0.68 -2.72 -0.13 0.00 1.84 0.00 0.00 41.12 40.79 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1iwa s MET 289 N -6.62 1.22 -0.17 -1.24 1.75 -1.00 -4.97 119.30 108.27 1iwa s MET 289 Ca 0.29 -1.04 -0.23 0.00 -1.25 0.00 0.00 55.69 53.46 1iwa s MET 289 Cb -0.12 -1.41 -0.02 0.00 2.84 0.00 0.00 34.83 36.12 1iwa s MET 289 CO 0.91 0.34 0.71 0.42 -0.65 0.00 0.00 175.02 176.75 1iwa s ILE 290 N -0.99 4.97 -0.40 10.11 1.01 -0.97 -4.56 121.20 130.38 1iwa s ILE 290 Ca 0.06 1.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.95 1iwa s ILE 290 Cb -0.09 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.38 1iwa s ILE 290 CO 0.03 0.09 0.27 -0.22 0.00 0.00 0.00 174.94 175.12 1iwa s LEU 291 N 1.89 5.02 -0.14 2.97 2.96 -1.26 -1.12 118.68 128.99 1iwa s LEU 291 Ca 0.33 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 53.13 1iwa s LEU 291 Cb -0.16 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1iwa s LEU 291 CO 0.12 -0.45 0.28 -2.28 -1.32 0.00 0.00 176.35 172.70 1iwa s HIS 292 N 1.63 3.50 -0.22 5.38 5.65 0.21 -0.15 115.29 131.28 1iwa s HIS 292 Ca 0.04 0.62 -0.04 0.00 0.25 0.00 0.00 55.06 55.93 1iwa s HIS 292 Cb -0.20 -2.29 -0.00 0.00 -1.18 0.00 0.00 32.58 28.91 1iwa s HIS 292 CO 0.08 0.33 -0.05 -1.17 -0.65 0.00 0.00 174.74 173.29 1iwa s LEU 293 N 0.17 2.93 -0.23 8.88 2.96 -0.75 -0.47 118.68 132.17 1iwa s LEU 293 Ca 0.17 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 1iwa s LEU 293 Cb -0.13 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1iwa s LEU 293 CO 0.05 -0.04 0.66 -2.28 -1.32 0.00 0.00 176.35 173.42 1iwa s HIS 294 N 1.46 3.32 -1.33 5.38 5.65 -0.41 -3.60 115.29 125.76 1iwa s HIS 294 Ca 0.05 0.91 0.00 0.00 0.25 0.00 0.00 55.06 56.27 1iwa s HIS 294 Cb -0.15 -2.86 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1iwa s HIS 294 CO -0.04 -0.28 0.22 2.89 -0.65 0.00 0.00 174.74 176.88 1iwa n ARG 295 N 5.50 0.32 -0.91 2.88 1.85 -1.26 -0.42 116.66 124.62 1iwa n ARG 295 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 1iwa n ARG 295 Cb 0.49 -1.11 -0.04 0.00 -1.05 0.00 0.00 32.46 30.75 1iwa n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwa n ALA 296 N 0.06 -2.34 -0.73 2.89 0.00 -1.26 -1.07 120.51 118.05 1iwa n ALA 296 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1iwa n ALA 296 Cb 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1iwa n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 297 N 1.05 0.82 0.18 0.00 0.00 -1.26 -4.07 105.19 101.92 1iwa n GLY 297 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1iwa n GLY 297 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1iwa h ASN 298 N 0.00 0.50 0.00 1.61 -1.24 -1.50 -2.58 115.58 112.37 1iwa h ASN 298 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1iwa h ASN 298 Cb 0.00 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.92 1iwa h ASN 298 CO 0.00 0.44 0.00 -1.20 -1.29 0.00 0.00 177.43 175.38 1iwa n SER 299 N -4.74 0.00 -0.00 1.15 7.64 -1.26 -2.39 113.62 114.02 1iwa n SER 299 Ca 0.00 -0.76 0.14 0.00 1.01 0.00 0.00 58.87 59.27 1iwa n SER 299 Cb 0.07 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.92 1iwa n SER 299 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1iwa n THR 300 N -0.69 0.00 -1.53 0.44 5.66 -0.97 -3.72 114.28 113.47 1iwa n THR 300 Ca 0.04 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1iwa n THR 300 Cb 0.02 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 1iwa n THR 300 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iwa n TYR 301 N -1.45 0.00 0.27 1.09 0.18 -1.01 -4.90 117.16 111.34 1iwa n TYR 301 Ca 0.09 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.90 1iwa n TYR 301 Cb 0.32 0.04 -0.05 0.00 -0.38 0.00 0.00 39.34 39.27 1iwa n TYR 301 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1iwa n SER 302 N 0.00 1.11 0.23 9.48 3.41 -1.09 -0.56 113.62 126.20 1iwa n SER 302 Ca 0.00 -0.50 -0.13 0.00 -0.26 0.00 0.00 58.87 57.98 1iwa n SER 302 Cb 0.31 1.10 -0.07 0.00 -0.26 0.00 0.00 64.21 65.29 1iwa n SER 302 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 303 N 0.00 -0.58 -6.65 4.33 9.65 -1.83 -3.44 114.38 115.85 1iwa h ARG 303 Ca 0.00 0.04 -0.52 0.00 -1.10 0.00 0.00 59.98 58.40 1iwa h ARG 303 Cb 0.24 0.13 0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1iwa h ARG 303 CO 0.00 -0.28 0.60 -0.65 2.80 0.00 0.00 179.97 182.44 1iwa s GLN 304 N -4.48 4.45 0.22 0.20 -1.52 -1.26 -4.22 119.66 113.05 1iwa s GLN 304 Ca -0.13 1.94 0.26 0.00 -1.95 0.00 0.00 55.36 55.47 1iwa s GLN 304 Cb 0.02 -3.23 0.85 0.00 -0.22 0.00 0.00 33.01 30.43 1iwa s GLN 304 CO 0.47 -0.17 1.76 1.17 -0.25 0.00 0.00 175.29 178.27 1iwa n LYS 305 N 2.70 0.25 -0.01 2.91 4.81 -1.26 -3.73 118.16 123.83 1iwa n LYS 305 Ca 0.06 0.26 -0.05 0.00 -0.87 0.00 0.00 58.31 57.71 1iwa n LYS 305 Cb 0.44 -1.82 -0.12 0.00 0.02 0.00 0.00 35.03 33.54 1iwa n LYS 305 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1iwa n ASN 306 N -2.26 0.69 -3.83 3.14 6.94 -1.26 -4.94 115.26 113.74 1iwa n ASN 306 Ca 0.05 0.32 -0.12 0.00 -0.02 0.00 0.00 54.58 54.81 1iwa n ASN 306 Cb 0.38 0.27 -0.11 0.00 -2.36 0.00 0.00 39.78 37.96 1iwa n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1iwa s HIS 307 N -2.73 -0.11 -0.09 -2.53 5.04 -1.24 -3.69 115.29 109.94 1iwa s HIS 307 Ca -0.05 0.24 0.00 0.00 -1.54 0.00 0.00 55.06 53.71 1iwa s HIS 307 Cb 0.08 0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.73 1iwa s HIS 307 CO 0.82 -0.19 0.00 0.41 -2.34 0.00 0.00 174.74 173.45 1iwa n GLY 308 N 2.29 0.25 2.95 1.59 0.00 -0.80 -4.51 105.19 106.96 1iwa n GLY 308 Ca -0.17 -2.04 -0.22 0.00 0.00 0.00 0.00 46.02 43.59 1iwa n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iwa s MET 309 N -0.04 1.20 0.12 1.61 -1.94 0.28 -1.05 119.30 119.46 1iwa s MET 309 Ca 0.00 -0.24 -0.30 0.00 -1.71 0.00 0.00 55.69 53.43 1iwa s MET 309 Cb 0.00 -1.07 -0.07 0.00 2.01 0.00 0.00 34.83 35.70 1iwa s MET 309 CO 0.00 -0.02 1.18 1.21 -0.01 0.00 0.00 175.02 177.38 1iwa s ASN 310 N 0.76 7.11 0.47 3.03 3.84 -0.31 -3.84 114.94 126.00 1iwa s ASN 310 Ca -0.13 2.09 0.33 0.00 0.21 0.00 0.00 52.86 55.37 1iwa s ASN 310 Cb -0.15 -2.59 1.47 0.00 -0.55 0.00 0.00 41.25 39.43 1iwa s ASN 310 CO 0.02 -0.40 1.65 0.15 -2.79 0.00 0.00 177.10 175.73 1iwa h PHE 311 N 6.06 0.38 0.00 0.43 3.57 -1.91 0.40 116.94 125.87 1iwa h PHE 311 Ca -0.43 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1iwa h PHE 311 Cb 1.21 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1iwa h PHE 311 CO 0.65 -0.12 -0.02 0.07 -2.23 0.00 0.00 178.31 176.66 1iwa h ARG 312 N 0.09 0.00 -0.21 1.11 0.11 -1.91 0.23 114.38 113.80 1iwa h ARG 312 Ca 0.79 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.76 1iwa h ARG 312 Cb 2.66 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.74 1iwa h ARG 312 CO -0.29 0.02 -0.31 0.28 0.10 0.00 0.00 179.97 179.78 1iwa h VAL 313 N 0.00 1.33 -0.42 0.08 2.07 -0.43 -2.36 116.25 116.51 1iwa h VAL 313 Ca -0.00 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 65.93 1iwa h VAL 313 Cb 0.08 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1iwa h VAL 313 CO 0.00 0.47 -0.04 0.40 0.02 0.00 0.00 177.57 178.42 1iwa h ILE 314 N 0.27 1.24 -0.43 4.57 5.03 -0.92 -1.51 117.51 125.75 1iwa h ILE 314 Ca 0.02 -1.00 0.00 0.00 -0.12 0.00 0.00 64.86 63.76 1iwa h ILE 314 Cb 0.89 0.96 -0.02 0.00 -3.03 0.00 0.00 36.82 35.62 1iwa h ILE 314 CO 0.07 0.34 0.28 0.00 -0.68 0.00 0.00 178.15 178.17 1iwa h LYS 316 N 0.58 -0.13 -1.00 0.00 1.57 -1.07 0.94 116.57 117.47 1iwa h LYS 316 Ca 0.16 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1iwa h LYS 316 Cb -0.05 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 1iwa h LYS 316 CO -0.03 0.11 0.64 -1.49 -0.57 0.00 0.00 179.45 178.12 1iwa h TRP 317 N -0.36 1.19 0.00 -1.35 6.55 -1.15 -0.60 115.95 120.22 1iwa h TRP 317 Ca -0.01 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.72 1iwa h TRP 317 Cb 0.30 -0.39 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 1iwa h TRP 317 CO 0.00 0.60 -0.64 0.52 -1.05 0.00 0.00 178.44 177.88 1iwa h MET 318 N 1.15 0.00 -0.00 0.49 2.86 -0.67 0.23 114.93 118.99 1iwa h MET 318 Ca 0.44 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.93 1iwa h MET 318 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1iwa h MET 318 CO -0.18 0.64 -0.71 -0.09 1.06 0.00 0.00 176.91 177.64 1iwa h ARG 319 N 0.00 0.03 -0.04 1.72 2.43 -0.14 -2.15 114.38 116.23 1iwa h ARG 319 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1iwa h ARG 319 Cb 1.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1iwa h ARG 319 CO 0.08 0.72 -0.08 0.52 -1.51 0.00 0.00 179.97 179.71 1iwa h MET 320 N 0.02 0.13 -0.90 0.20 2.86 -0.90 -3.14 114.93 113.20 1iwa h MET 320 Ca -0.01 -0.08 0.18 0.00 -2.06 0.00 0.00 59.70 57.73 1iwa h MET 320 Cb 1.25 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.81 1iwa h MET 320 CO 0.09 0.65 0.47 0.00 1.06 0.00 0.00 176.91 179.19 1iwa h ALA 321 N 0.47 1.43 0.00 6.32 0.00 -0.44 -2.68 119.26 124.37 1iwa h ALA 321 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iwa h ALA 321 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1iwa h ALA 321 CO 0.02 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1iwa n GLY 322 N -1.33 1.53 3.74 0.00 0.00 -0.83 -4.55 105.19 103.75 1iwa n GLY 322 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1iwa n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwa s VAL 323 N -2.00 2.72 -0.20 1.61 0.11 -1.09 -0.60 120.40 120.95 1iwa s VAL 323 Ca 0.00 0.35 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1iwa s VAL 323 Cb 0.00 -2.91 -0.21 0.00 -1.53 0.00 0.00 36.38 31.74 1iwa s VAL 323 CO 0.00 -0.19 0.03 0.47 -3.33 0.00 0.00 175.10 172.08 1iwa n ASP 324 N -2.50 2.04 -4.40 3.54 8.00 0.79 -4.34 116.55 119.67 1iwa n ASP 324 Ca 0.12 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.45 1iwa n ASP 324 Cb 0.51 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 1iwa n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1iwa s HIS 325 N -2.53 1.98 -0.29 1.24 3.76 -0.90 -0.34 115.29 118.21 1iwa s HIS 325 Ca -0.30 -0.46 -0.16 0.00 -0.15 0.00 0.00 55.06 54.00 1iwa s HIS 325 Cb 0.08 -0.89 0.14 0.00 1.11 0.00 0.00 32.58 33.02 1iwa s HIS 325 CO 0.67 0.52 0.92 -1.50 -0.85 0.00 0.00 174.74 174.50 1iwa s ILE 326 N -2.74 -0.04 -0.20 0.60 2.07 -0.86 -1.81 121.20 118.23 1iwa s ILE 326 Ca 0.26 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.21 1iwa s ILE 326 Cb -0.03 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.50 1iwa s ILE 326 CO 0.11 0.00 2.19 1.41 -1.91 0.00 0.00 174.94 176.73 1iwa n HIS 327 N 3.90 2.00 -0.39 3.50 8.25 -1.24 -0.49 115.22 130.76 1iwa n HIS 327 Ca -0.18 -0.12 0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1iwa n HIS 327 Cb 0.57 -2.72 0.31 0.00 1.12 0.00 0.00 29.99 29.27 1iwa n HIS 327 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iwa n ALA 328 N 10.94 2.44 -0.15 -1.41 0.00 -0.07 -4.81 120.51 127.46 1iwa n ALA 328 Ca 0.30 -1.33 0.02 0.00 0.00 0.00 0.00 53.44 52.42 1iwa n ALA 328 Cb 0.42 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1iwa n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 329 N 1.45 -2.73 3.98 0.00 0.00 -1.21 -4.90 105.19 101.77 1iwa n GLY 329 Ca 0.23 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1iwa n GLY 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwa s THR 330 N -3.27 2.64 -0.05 2.61 -4.23 -1.26 -4.64 115.64 107.43 1iwa s THR 330 Ca 0.00 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1iwa s THR 330 Cb 0.00 -2.75 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 1iwa s THR 330 CO 0.00 0.00 0.07 0.52 -0.54 0.00 0.00 174.62 174.67 1iwa n VAL 331 N -1.86 0.36 -0.06 2.29 0.31 -1.26 -4.60 118.33 113.51 1iwa n VAL 331 Ca 0.08 -0.27 0.03 0.00 -0.01 0.00 0.00 64.34 64.17 1iwa n VAL 331 Cb 0.61 -0.47 0.09 0.00 -0.91 0.00 0.00 33.84 33.15 1iwa n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1iwa n VAL 332 N -2.13 0.87 -1.10 2.52 0.24 -1.26 -4.89 118.33 112.57 1iwa n VAL 332 Ca -0.09 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1iwa n VAL 332 Cb 0.58 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1iwa n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iwa n GLY 333 N 0.16 -0.88 0.55 7.63 0.00 -1.26 -4.67 105.19 106.72 1iwa n GLY 333 Ca 0.07 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.50 1iwa n GLY 333 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iwa n LYS 334 N -0.95 1.73 -4.24 1.61 2.85 -1.01 -4.77 118.16 113.38 1iwa n LYS 334 Ca 0.00 -1.09 -0.35 0.00 -1.05 0.00 0.00 58.31 55.82 1iwa n LYS 334 Cb 0.00 -1.41 -0.08 0.00 -0.65 0.00 0.00 35.03 32.89 1iwa n LYS 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1iwa s LEU 335 N -1.63 3.78 0.20 -5.58 2.01 -1.26 -5.06 118.68 111.14 1iwa s LEU 335 Ca 0.33 0.21 -0.30 0.00 0.01 0.00 0.00 54.13 54.38 1iwa s LEU 335 Cb 0.18 -1.91 -0.16 0.00 0.01 0.00 0.00 46.19 44.30 1iwa s LEU 335 CO 0.27 0.37 0.79 1.21 1.01 0.00 0.00 176.35 180.01 1iwa n GLU 336 N 2.01 0.51 0.00 1.70 4.07 -1.26 -4.75 120.64 122.92 1iwa n GLU 336 Ca -0.18 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1iwa n GLU 336 Cb 0.54 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 1iwa n GLU 336 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iwa n GLY 337 N 1.75 1.85 3.76 8.31 0.00 -1.26 -4.81 105.19 114.80 1iwa n GLY 337 Ca 0.16 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 1iwa n GLY 337 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iwa s ASP 338 N 0.00 7.01 0.17 1.61 2.15 -1.26 -4.79 116.67 121.55 1iwa s ASP 338 Ca 0.00 1.20 -0.17 0.00 0.43 0.00 0.00 52.55 54.01 1iwa s ASP 338 Cb 0.00 -2.38 0.12 0.00 -0.30 0.00 0.00 42.92 40.36 1iwa s ASP 338 CO 0.00 0.08 1.66 1.55 -0.17 0.00 0.00 175.17 178.29 1iwa h PRO 339 N 5.67 -0.02 0.00 4.34 0.13 -1.94 0.24 132.00 140.42 1iwa h PRO 339 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1iwa h PRO 339 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1iwa h PRO 339 CO 0.70 -0.01 -0.64 0.82 -0.23 0.00 0.00 178.00 178.63 1iwa h ILE 340 N -0.02 1.44 -0.23 -3.56 2.04 -1.94 -1.15 117.51 114.08 1iwa h ILE 340 Ca 0.21 -2.22 -0.19 0.00 1.00 0.00 0.00 64.86 63.67 1iwa h ILE 340 Cb 0.34 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1iwa h ILE 340 CO -0.46 0.63 -0.59 0.40 0.00 0.00 0.00 178.15 178.13 1iwa h ILE 341 N 0.00 1.29 -0.20 -0.67 1.08 -1.67 -2.88 117.51 114.47 1iwa h ILE 341 Ca -0.01 -1.80 -0.08 0.00 -0.39 0.00 0.00 64.86 62.58 1iwa h ILE 341 Cb 1.15 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1iwa h ILE 341 CO 0.08 0.58 -0.25 0.74 -0.69 0.00 0.00 178.15 178.61 1iwa h THR 342 N 0.57 1.25 0.00 -0.27 2.02 -0.37 -1.85 112.91 114.26 1iwa h THR 342 Ca 0.00 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1iwa h THR 342 Cb 1.18 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1iwa h THR 342 CO 0.12 0.37 -0.17 -0.09 0.37 0.00 0.00 175.52 176.12 1iwa h ARG 343 N 0.33 0.00 -0.16 6.66 2.43 -1.01 -0.80 114.38 121.84 1iwa h ARG 343 Ca 0.05 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1iwa h ARG 343 Cb 0.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1iwa h ARG 343 CO 0.04 0.17 -0.53 0.78 -1.51 0.00 0.00 179.97 178.92 1iwa h GLY 344 N 0.60 0.49 0.77 2.80 0.00 -1.15 -2.09 103.07 104.50 1iwa h GLY 344 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1iwa h GLY 344 CO 0.02 0.50 -0.30 0.74 0.00 0.00 0.00 176.54 177.51 1iwa h PHE 345 N 0.35 -0.77 -0.70 5.60 0.05 -0.95 -1.64 116.94 118.88 1iwa h PHE 345 Ca 0.01 -0.02 0.14 0.00 3.82 0.00 0.00 57.97 61.92 1iwa h PHE 345 Cb 1.05 0.25 -0.10 0.00 2.00 0.00 0.00 35.95 39.15 1iwa h PHE 345 CO 0.04 -0.43 0.18 1.88 -0.18 0.00 0.00 178.31 179.79 1iwa h TYR 346 N -1.07 0.28 -0.31 -0.55 -1.99 -1.36 -0.23 116.97 111.74 1iwa h TYR 346 Ca -0.08 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1iwa h TYR 346 Cb 0.69 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1iwa h TYR 346 CO 0.00 -0.05 0.17 0.87 -0.00 0.00 0.00 178.16 179.15 1iwa h LYS 347 N 0.29 0.44 -0.65 4.88 1.57 -1.36 0.18 116.57 121.92 1iwa h LYS 347 Ca 0.38 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.21 1iwa h LYS 347 Cb 0.62 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1iwa h LYS 347 CO -0.46 0.38 0.43 1.15 -0.57 0.00 0.00 179.45 180.38 1iwa h THR 348 N 0.38 0.89 0.12 -0.16 2.02 -0.12 0.12 112.91 116.17 1iwa h THR 348 Ca 0.11 -0.16 -0.29 0.00 0.77 0.00 0.00 66.41 66.84 1iwa h THR 348 Cb 0.07 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1iwa h THR 348 CO -0.02 0.08 -1.42 -0.07 0.37 0.00 0.00 175.52 174.47 1iwa h LEU 349 N 0.46 0.40 0.00 2.58 3.38 -0.26 -3.42 115.31 118.46 1iwa h LEU 349 Ca 0.30 -0.50 -0.35 0.00 0.09 0.00 0.00 57.88 57.42 1iwa h LEU 349 Cb 0.57 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1iwa h LEU 349 CO -0.09 1.41 -2.31 0.18 0.09 0.00 0.00 178.44 177.71 1iwa n LEU 350 N -3.48 1.34 -4.77 1.67 7.99 0.57 -1.08 117.00 119.24 1iwa n LEU 350 Ca -0.13 -0.06 -0.37 0.00 -0.01 0.00 0.00 56.01 55.44 1iwa n LEU 350 Cb 1.04 -0.12 -0.02 0.00 -0.11 0.00 0.00 43.42 44.21 1iwa n LEU 350 CO 0.52 0.66 0.82 -0.76 -1.51 0.00 0.00 177.39 177.11 1iwa s LEU 351 N -5.83 4.06 0.05 2.23 1.02 0.39 -4.81 118.68 115.79 1iwa s LEU 351 Ca -0.19 2.27 0.28 0.00 0.02 0.00 0.00 54.13 56.50 1iwa s LEU 351 Cb 0.07 -4.19 1.02 0.00 0.02 0.00 0.00 46.19 43.10 1iwa s LEU 351 CO 0.67 -0.81 1.81 -0.81 0.02 0.00 0.00 176.35 177.23 1iwa n PRO 352 N -0.32 0.07 -3.70 1.29 -0.04 -1.26 -4.80 135.00 126.24 1iwa n PRO 352 Ca 0.06 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1iwa n PRO 352 Cb 0.48 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 1iwa n PRO 352 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1iwa s LYS 353 N -3.03 0.63 -0.07 0.54 2.20 -1.26 -2.04 119.74 116.71 1iwa s LYS 353 Ca 0.13 0.41 0.04 0.00 -0.36 0.00 0.00 55.97 56.19 1iwa s LYS 353 Cb 0.17 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.77 1iwa s LYS 353 CO 0.57 -0.12 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.74 1iwa s LEU 354 N -0.28 2.43 -0.07 5.43 1.02 0.36 -4.96 118.68 122.62 1iwa s LEU 354 Ca -0.04 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 53.75 1iwa s LEU 354 Cb -0.03 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.66 1iwa s LEU 354 CO 0.03 0.27 -0.07 -1.61 0.02 0.00 0.00 176.35 174.98 1iwa s GLU 355 N -0.27 2.75 0.25 1.70 2.02 -1.26 -0.68 118.70 123.21 1iwa s GLU 355 Ca 0.01 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 1iwa s GLU 355 Cb -0.13 -2.58 -0.14 0.00 0.10 0.00 0.00 34.13 31.38 1iwa s GLU 355 CO 0.03 0.65 1.26 -2.13 0.02 0.00 0.00 175.26 175.09 1iwa n ARG 356 N 2.25 1.72 -3.13 1.61 0.63 -1.24 -4.85 116.66 113.66 1iwa n ARG 356 Ca -0.18 0.61 0.02 0.00 -0.92 0.00 0.00 57.85 57.39 1iwa n ARG 356 Cb 0.53 -2.17 -0.00 0.00 0.45 0.00 0.00 32.46 31.27 1iwa n ARG 356 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1iwa s ASN 357 N -0.02 -1.33 0.41 6.15 3.84 0.11 -5.00 114.94 119.10 1iwa s ASN 357 Ca 0.66 -0.35 0.13 0.00 0.21 0.00 0.00 52.86 53.51 1iwa s ASN 357 Cb -0.69 1.74 0.97 0.00 -0.55 0.00 0.00 41.25 42.72 1iwa s ASN 357 CO 0.54 -0.18 1.94 -0.07 -2.79 0.00 0.00 177.10 176.53 1iwa h LEU 358 N 7.12 0.45 -0.16 3.21 -0.00 -1.93 0.20 115.31 124.20 1iwa h LEU 358 Ca 0.01 0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.95 1iwa h LEU 358 Cb 1.19 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.72 1iwa h LEU 358 CO 0.08 0.25 -0.16 1.56 -0.00 0.00 0.00 178.44 180.17 1iwa h GLN 359 N 0.49 -0.18 0.00 1.13 1.08 -1.94 -2.57 115.11 113.12 1iwa h GLN 359 Ca 0.34 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.48 1iwa h GLN 359 Cb 0.65 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1iwa h GLN 359 CO -0.11 -0.12 -0.33 0.93 -0.95 0.00 0.00 178.83 178.25 1iwa h GLU 360 N -0.19 0.00 0.00 1.46 5.08 -1.45 -3.43 114.58 116.06 1iwa h GLU 360 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1iwa h GLU 360 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1iwa h GLU 360 CO -0.27 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1iwa n GLY 361 N 0.91 0.72 3.51 -3.84 0.00 0.58 -4.53 105.19 102.54 1iwa n GLY 361 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1iwa n GLY 361 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 362 N 0.00 3.88 0.00 0.99 1.02 -0.90 -4.82 118.68 118.85 1iwa s LEU 362 Ca 0.00 -1.08 0.27 0.00 0.02 0.00 0.00 54.13 53.35 1iwa s LEU 362 Cb 0.00 -2.50 1.25 0.00 0.02 0.00 0.00 46.19 44.97 1iwa s LEU 362 CO 0.00 -1.53 1.90 0.49 0.02 0.00 0.00 176.35 177.23 1iwa n PHE 363 N 8.36 0.00 -4.24 0.29 3.01 -1.26 0.09 117.46 123.71 1iwa n PHE 363 Ca 0.11 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.40 1iwa n PHE 363 Cb 0.48 -0.41 -0.11 0.00 -0.01 0.00 0.00 39.48 39.44 1iwa n PHE 363 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iwa s PHE 364 N -2.82 1.36 0.15 1.38 0.08 -1.26 -4.89 117.98 111.98 1iwa s PHE 364 Ca 0.19 -0.58 -0.17 0.00 0.12 0.00 0.00 56.93 56.48 1iwa s PHE 364 Cb 0.18 -0.71 -0.07 0.00 -0.57 0.00 0.00 43.02 41.85 1iwa s PHE 364 CO 0.46 0.13 0.61 -0.51 -0.10 0.00 0.00 175.22 175.81 1iwa s ASP 365 N -2.51 6.97 -0.20 1.36 -0.00 -1.26 -3.63 116.67 117.39 1iwa s ASP 365 Ca 0.09 1.24 -0.07 0.00 -0.00 0.00 0.00 52.55 53.81 1iwa s ASP 365 Cb -0.04 -2.35 0.09 0.00 -0.00 0.00 0.00 42.92 40.62 1iwa s ASP 365 CO 0.03 0.13 0.42 -0.32 -0.00 0.00 0.00 175.17 175.43 1iwa s MET 366 N -1.72 0.34 0.28 8.23 1.75 0.15 -4.96 119.30 123.36 1iwa s MET 366 Ca 0.37 1.01 -0.29 0.00 -1.25 0.00 0.00 55.69 55.53 1iwa s MET 366 Cb -0.17 0.29 -0.09 0.00 2.84 0.00 0.00 34.83 37.70 1iwa s MET 366 CO 0.20 -0.24 1.00 -1.21 -0.65 0.00 0.00 175.02 174.12 1iwa s GLU 367 N 2.44 4.70 0.00 4.11 0.41 -1.26 -0.48 118.70 128.61 1iwa s GLU 367 Ca -0.03 1.57 0.18 0.00 -0.41 0.00 0.00 54.97 56.28 1iwa s GLU 367 Cb -0.11 -3.13 0.51 0.00 -1.78 0.00 0.00 34.13 29.62 1iwa s GLU 367 CO -0.13 0.34 1.42 0.91 -0.49 0.00 0.00 175.26 177.31 1iwa n TRP 368 N 1.14 0.65 -2.10 1.61 7.02 -0.87 -4.81 117.44 120.10 1iwa n TRP 368 Ca -0.01 -0.33 -0.15 0.00 -1.02 0.00 0.00 57.50 56.00 1iwa n TRP 368 Cb 0.47 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwa n ALA 369 N 1.08 -0.56 -1.18 6.99 0.00 -1.26 -1.68 120.51 123.89 1iwa n ALA 369 Ca 0.18 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.72 1iwa n ALA 369 Cb 0.47 -1.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1iwa n ALA 369 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iwa n SER 370 N -1.47 -4.09 -4.77 0.00 7.64 -1.26 -4.91 113.62 104.75 1iwa n SER 370 Ca -0.17 0.16 -0.39 0.00 1.01 0.00 0.00 58.87 59.48 1iwa n SER 370 Cb 0.58 -2.15 -0.01 0.00 -1.01 0.00 0.00 64.21 61.62 1iwa n SER 370 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1iwa s LEU 371 N -1.44 4.19 0.90 -3.43 1.43 -0.68 -4.96 118.68 114.69 1iwa s LEU 371 Ca 0.00 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1iwa s LEU 371 Cb 0.00 -3.98 0.10 0.00 0.03 0.00 0.00 46.19 42.34 1iwa s LEU 371 CO 0.00 -0.79 0.95 0.54 0.23 0.00 0.00 176.35 177.29 1iwa n ARG 372 N 0.05 -0.28 -3.08 1.70 1.74 -1.26 -4.96 116.66 110.56 1iwa n ARG 372 Ca 0.04 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 1iwa n ARG 372 Cb 0.45 -2.24 -0.06 0.00 -1.02 0.00 0.00 32.46 29.59 1iwa n ARG 372 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1iwa s LYS 373 N -4.22 4.16 -0.14 5.56 1.02 -1.26 -4.31 119.74 120.55 1iwa s LYS 373 Ca 0.66 0.82 -0.10 0.00 0.02 0.00 0.00 55.97 57.37 1iwa s LYS 373 Cb -0.24 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1iwa s LYS 373 CO 0.59 0.26 0.19 0.08 -0.92 0.00 0.00 175.35 175.55 1iwa s VAL 374 N -1.77 5.39 -0.41 3.17 1.01 -0.24 -1.64 120.40 125.92 1iwa s VAL 374 Ca 0.49 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 1iwa s VAL 374 Cb -0.13 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1iwa s VAL 374 CO 0.19 0.53 1.02 -0.32 0.00 0.00 0.00 175.10 176.52 1iwa s MET 375 N -0.40 3.78 0.57 2.72 1.75 0.54 -4.27 119.30 123.99 1iwa s MET 375 Ca 0.14 0.58 -0.19 0.00 -1.25 0.00 0.00 55.69 54.97 1iwa s MET 375 Cb -0.12 -3.85 -0.05 0.00 2.84 0.00 0.00 34.83 33.65 1iwa s MET 375 CO 0.03 -1.13 1.14 -1.25 -0.65 0.00 0.00 175.02 173.16 1iwa s PRO 376 N 3.87 3.20 -0.11 4.11 0.04 -1.26 -2.02 135.00 142.83 1iwa s PRO 376 Ca 0.42 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1iwa s PRO 376 Cb -0.10 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1iwa s PRO 376 CO 0.24 -0.97 -0.18 0.08 0.04 0.00 0.00 177.00 176.20 1iwa s VAL 377 N -1.84 1.72 -0.28 -0.36 1.01 0.36 -1.44 120.40 119.56 1iwa s VAL 377 Ca 0.72 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1iwa s VAL 377 Cb -0.24 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1iwa s VAL 377 CO 0.30 0.49 0.14 0.00 0.00 0.00 0.00 175.10 176.03 1iwa s ALA 378 N 0.80 3.32 0.06 5.51 0.00 -0.17 -0.89 121.76 130.41 1iwa s ALA 378 Ca -0.09 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.59 1iwa s ALA 378 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1iwa s ALA 378 CO 0.01 -0.65 0.15 0.45 0.00 0.00 0.00 175.76 175.72 1iwa s SER 379 N 1.66 0.15 0.00 0.00 0.15 -1.26 -0.60 113.70 113.80 1iwa s SER 379 Ca 0.06 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1iwa s SER 379 Cb -0.16 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1iwa s SER 379 CO 0.07 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1iwa n GLY 380 N 0.26 1.47 4.16 9.45 0.00 -1.26 -4.19 105.19 115.09 1iwa n GLY 380 Ca -0.16 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1iwa n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 381 N 0.00 -0.53 3.74 -0.02 0.00 -1.26 -2.40 105.19 104.72 1iwa n GLY 381 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1iwa n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iwa s ILE 382 N -3.88 2.33 -0.02 -0.61 -4.36 -1.26 -4.37 121.20 109.02 1iwa s ILE 382 Ca 0.28 -1.70 -0.30 0.00 -0.26 0.00 0.00 60.65 58.68 1iwa s ILE 382 Cb -0.15 -3.00 0.11 0.00 1.25 0.00 0.00 42.46 40.67 1iwa s ILE 382 CO 0.98 -0.01 1.07 -1.38 0.24 0.00 0.00 174.94 175.85 1iwa s HIS 383 N -2.59 -0.18 0.58 1.37 -3.43 -1.26 -4.71 115.29 105.07 1iwa s HIS 383 Ca 0.41 0.03 -0.19 0.00 -0.80 0.00 0.00 55.06 54.51 1iwa s HIS 383 Cb 0.04 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 1iwa s HIS 383 CO 0.23 -0.46 1.07 0.00 -2.00 0.00 0.00 174.74 173.58 1iwa n ALA 384 N -0.30 0.51 0.00 -1.38 0.00 -1.26 -2.21 120.51 115.86 1iwa n ALA 384 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iwa n ALA 384 Cb 0.61 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1iwa n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 385 N 1.15 2.28 0.11 0.00 0.00 -1.26 -4.74 105.19 102.73 1iwa n GLY 385 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1iwa n GLY 385 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iwa n GLN 386 N -0.52 1.91 -0.33 1.61 6.02 -0.94 -4.64 117.38 120.50 1iwa n GLN 386 Ca 0.00 -0.25 0.24 0.00 -0.01 0.00 0.00 57.00 56.98 1iwa n GLN 386 Cb 0.00 -1.23 0.45 0.00 1.02 0.00 0.00 30.24 30.48 1iwa n GLN 386 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1iwa h MET 387 N 0.54 0.04 -0.43 -1.09 4.05 -1.85 0.28 114.93 116.48 1iwa h MET 387 Ca 0.00 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1iwa h MET 387 Cb 0.41 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 1iwa h MET 387 CO 0.00 0.03 0.00 1.12 0.23 0.00 0.00 176.91 178.29 1iwa h HIS 388 N 0.04 0.72 0.04 1.39 2.07 -1.87 -2.17 115.15 115.37 1iwa h HIS 388 Ca 0.73 -0.09 -0.27 0.00 -2.85 0.00 0.00 60.37 57.89 1iwa h HIS 388 Cb 1.77 -0.20 -0.03 0.00 2.57 0.00 0.00 27.41 31.52 1iwa h HIS 388 CO -0.20 0.68 -1.44 -0.56 -3.07 0.00 0.00 177.93 173.34 1iwa h GLN 389 N 0.65 0.09 -0.48 5.12 3.07 -0.86 -2.69 115.11 120.00 1iwa h GLN 389 Ca 0.13 -0.15 0.01 0.00 0.09 0.00 0.00 58.65 58.73 1iwa h GLN 389 Cb 0.40 0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.99 1iwa h GLN 389 CO 0.01 0.87 0.31 -0.07 0.09 0.00 0.00 178.83 180.04 1iwa h LEU 390 N 0.02 0.52 -0.68 0.06 3.38 -0.96 0.01 115.31 117.66 1iwa h LEU 390 Ca -0.19 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1iwa h LEU 390 Cb 1.94 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 1iwa h LEU 390 CO 0.12 0.37 0.19 0.40 0.09 0.00 0.00 178.44 179.61 1iwa h ILE 391 N 0.62 1.26 0.23 1.22 1.08 -1.48 -0.69 117.51 119.75 1iwa h ILE 391 Ca 0.18 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1iwa h ILE 391 Cb -0.04 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 1iwa h ILE 391 CO -0.06 0.35 -0.11 -0.74 -0.69 0.00 0.00 178.15 176.91 1iwa h HIS 392 N 1.01 -0.29 0.05 1.37 2.76 -1.02 -2.40 115.15 116.64 1iwa h HIS 392 Ca 0.22 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1iwa h HIS 392 Cb 0.34 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1iwa h HIS 392 CO 0.03 -0.07 -0.03 1.88 -1.30 0.00 0.00 177.93 178.44 1iwa h TYR 393 N -0.45 -0.07 -0.40 5.26 0.05 -1.03 -3.40 116.97 116.93 1iwa h TYR 393 Ca -0.03 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1iwa h TYR 393 Cb 0.34 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1iwa h TYR 393 CO -0.02 -0.04 0.11 -0.07 -1.05 0.00 0.00 178.16 177.09 1iwa h LEU 394 N -0.95 0.59 0.00 3.88 3.38 -1.29 -3.48 115.31 117.44 1iwa h LEU 394 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1iwa h LEU 394 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1iwa h LEU 394 CO 0.01 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1iwa n GLY 395 N -0.62 -1.16 0.12 0.83 0.00 -0.90 -4.72 105.19 98.74 1iwa n GLY 395 Ca -0.00 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.72 1iwa n GLY 395 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iwa h GLU 396 N 1.13 0.28 -4.25 1.61 4.81 -1.94 -3.43 114.58 112.79 1iwa h GLU 396 Ca 0.00 -0.48 -0.75 0.00 -0.13 0.00 0.00 59.36 57.99 1iwa h GLU 396 Cb 0.00 0.18 -0.23 0.00 0.63 0.00 0.00 28.75 29.33 1iwa h GLU 396 CO 0.00 1.15 0.44 -0.51 -0.73 0.00 0.00 179.01 179.36 1iwa s ASP 397 N -7.03 6.78 0.03 1.04 1.01 -1.26 -2.94 116.67 114.31 1iwa s ASP 397 Ca -0.13 -2.57 -0.27 0.00 0.71 0.00 0.00 52.55 50.29 1iwa s ASP 397 Cb 0.06 -2.28 0.09 0.00 1.01 0.00 0.00 42.92 41.80 1iwa s ASP 397 CO 0.84 -0.72 0.81 0.54 0.21 0.00 0.00 175.17 176.85 1iwa s VAL 398 N 0.95 0.00 -0.38 -1.27 0.11 -1.26 -4.21 120.40 114.34 1iwa s VAL 398 Ca 0.25 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1iwa s VAL 398 Cb -0.08 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.84 1iwa s VAL 398 CO -0.09 0.00 0.17 -0.69 -3.33 0.00 0.00 175.10 171.16 1iwa s VAL 399 N -3.18 3.76 -0.60 2.04 1.01 -0.52 -1.64 120.40 121.27 1iwa s VAL 399 Ca 0.03 -1.44 -0.28 0.00 0.00 0.00 0.00 61.98 60.29 1iwa s VAL 399 Cb -0.01 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1iwa s VAL 399 CO -0.09 -0.40 1.24 -0.76 0.00 0.00 0.00 175.10 175.09 1iwa s LEU 400 N 1.34 3.41 -0.34 3.92 1.02 0.34 -1.00 118.68 127.38 1iwa s LEU 400 Ca 0.02 0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.13 1iwa s LEU 400 Cb -0.22 -3.08 0.00 0.00 0.02 0.00 0.00 46.19 42.92 1iwa s LEU 400 CO 0.01 -1.56 0.19 -1.10 0.02 0.00 0.00 176.35 173.90 1iwa s GLN 401 N 5.14 3.16 -0.21 1.70 -0.21 0.23 -1.16 119.66 128.30 1iwa s GLN 401 Ca 0.44 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.89 1iwa s GLN 401 Cb -0.08 -3.67 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1iwa s GLN 401 CO 0.24 -0.53 0.09 -0.06 -2.12 0.00 0.00 175.29 172.91 1iwa s PHE 402 N 1.61 3.21 0.00 0.91 0.40 0.16 -4.24 117.98 120.03 1iwa s PHE 402 Ca 0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 1iwa s PHE 402 Cb -0.18 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1iwa s PHE 402 CO 0.07 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.38 1iwa n GLY 403 N 4.11 0.96 0.19 4.36 0.00 -1.26 -3.84 105.19 109.71 1iwa n GLY 403 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1iwa n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iwa h GLY 404 N 0.00 0.00 -2.75 -0.02 0.00 -1.94 -3.18 103.07 95.17 1iwa h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwa h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iwa n GLY 405 N 0.02 2.14 2.08 4.60 0.00 -1.26 -1.88 105.19 110.89 1iwa n GLY 405 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1iwa n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwa n THR 406 N 1.23 0.00 -0.07 2.61 -1.04 -1.20 -4.87 114.28 110.95 1iwa n THR 406 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1iwa n THR 406 Cb 0.45 -0.19 0.12 0.00 -1.82 0.00 0.00 70.33 68.89 1iwa n THR 406 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1iwa h ILE 407 N 0.00 1.27 0.00 12.58 2.04 -1.66 -3.04 117.51 128.70 1iwa h ILE 407 Ca 0.00 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1iwa h ILE 407 Cb 0.00 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1iwa h ILE 407 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1iwa n GLY 408 N -0.29 1.34 3.73 5.37 0.00 -0.79 -4.46 105.19 110.11 1iwa n GLY 408 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1iwa n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iwa s HIS 409 N -0.47 3.64 0.44 1.61 5.04 -1.15 -4.97 115.29 119.44 1iwa s HIS 409 Ca 0.00 1.30 0.33 0.00 -1.54 0.00 0.00 55.06 55.15 1iwa s HIS 409 Cb 0.00 -2.77 1.80 0.00 0.04 0.00 0.00 32.58 31.65 1iwa s HIS 409 CO 0.00 0.19 2.00 -1.00 -2.34 0.00 0.00 174.74 173.59 1iwa h PRO 410 N 6.24 0.00 -0.23 2.88 0.13 -1.92 -2.44 132.00 136.65 1iwa h PRO 410 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1iwa h PRO 410 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iwa h PRO 410 CO 0.73 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.25 1iwa n ASP 411 N -2.77 3.02 0.00 1.44 10.43 -1.26 -5.07 116.55 122.34 1iwa n ASP 411 Ca -0.02 -1.89 0.00 0.00 2.57 0.00 0.00 54.79 55.45 1iwa n ASP 411 Cb 0.18 -0.14 0.00 0.00 1.84 0.00 0.00 41.12 43.00 1iwa n ASP 411 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iwa n GLY 412 N 1.20 3.22 0.31 0.44 0.00 -0.92 -4.58 105.19 104.86 1iwa n GLY 412 Ca 0.15 -1.95 0.08 0.00 0.00 0.00 0.00 46.02 44.30 1iwa n GLY 412 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwa h ILE 413 N 0.00 1.00 -0.48 -0.61 2.04 -1.81 -1.77 117.51 115.88 1iwa h ILE 413 Ca 0.00 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1iwa h ILE 413 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1iwa h ILE 413 CO 0.00 0.06 -0.15 1.56 0.00 0.00 0.00 178.15 179.62 1iwa h GLN 414 N 0.33 0.94 -0.65 2.37 4.20 -1.88 -1.72 115.11 118.70 1iwa h GLN 414 Ca 0.15 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1iwa h GLN 414 Cb 0.19 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1iwa h GLN 414 CO -0.03 1.04 0.41 0.00 -0.67 0.00 0.00 178.83 179.58 1iwa h ALA 415 N 0.87 0.83 -0.48 3.87 0.00 -1.59 -0.33 119.26 122.44 1iwa h ALA 415 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 415 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1iwa h ALA 415 CO 0.05 0.28 0.22 0.78 0.00 0.00 0.00 179.25 180.59 1iwa h GLY 416 N 0.89 0.74 0.98 0.00 0.00 -1.27 -1.76 103.07 102.65 1iwa h GLY 416 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1iwa h GLY 416 CO -0.05 0.36 -0.11 0.00 0.00 0.00 0.00 176.54 176.73 1iwa h ALA 417 N 1.06 -0.32 -0.63 3.60 0.00 -0.88 -2.78 119.26 119.31 1iwa h ALA 417 Ca 0.16 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1iwa h ALA 417 Cb 0.14 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1iwa h ALA 417 CO -0.02 -0.67 0.28 1.15 0.00 0.00 0.00 179.25 179.99 1iwa h THR 418 N -0.35 0.82 -0.53 0.00 2.02 -0.39 -1.48 112.91 112.99 1iwa h THR 418 Ca -0.03 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.06 1iwa h THR 418 Cb 0.27 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 1iwa h THR 418 CO 0.05 0.09 0.16 0.00 0.37 0.00 0.00 175.52 176.19 1iwa h ALA 419 N 1.41 0.64 -0.29 6.16 0.00 -1.13 0.16 119.26 126.20 1iwa h ALA 419 Ca 0.31 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1iwa h ALA 419 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1iwa h ALA 419 CO -0.27 -0.25 -0.31 -0.91 0.00 0.00 0.00 179.25 177.50 1iwa h ASN 420 N 0.31 0.64 -0.23 0.00 2.35 -1.12 -1.64 115.58 115.89 1iwa h ASN 420 Ca 0.27 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1iwa h ASN 420 Cb 0.34 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1iwa h ASN 420 CO -0.31 0.91 0.02 -0.09 -1.65 0.00 0.00 177.43 176.31 1iwa h ARG 421 N 0.53 0.40 0.12 0.81 9.65 -0.47 -1.04 114.38 124.38 1iwa h ARG 421 Ca 0.06 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1iwa h ARG 421 Cb 0.80 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1iwa h ARG 421 CO 0.07 0.56 -0.06 0.28 2.80 0.00 0.00 179.97 183.62 1iwa h VAL 422 N 0.18 1.00 -0.84 0.20 2.07 -0.96 -1.59 116.25 116.32 1iwa h VAL 422 Ca 0.07 -0.50 0.15 0.00 0.82 0.00 0.00 66.70 67.24 1iwa h VAL 422 Cb 0.37 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.36 1iwa h VAL 422 CO 0.01 0.12 0.42 0.00 0.02 0.00 0.00 177.57 178.14 1iwa h ALA 423 N 0.44 1.27 0.93 1.67 0.00 -1.29 0.22 119.26 122.49 1iwa h ALA 423 Ca -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 423 Cb 0.33 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1iwa h ALA 423 CO 0.03 -0.13 -0.44 1.25 0.00 0.00 0.00 179.25 179.95 1iwa h LEU 424 N 0.58 -1.05 -1.31 0.00 5.85 -0.99 -1.64 115.31 116.75 1iwa h LEU 424 Ca 0.47 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.25 1iwa h LEU 424 Cb 0.70 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1iwa h LEU 424 CO -0.39 -0.72 0.48 -0.33 -0.34 0.00 0.00 178.44 177.15 1iwa h GLU 425 N -1.31 0.90 -0.09 1.25 5.08 -0.83 -1.88 114.58 117.71 1iwa h GLU 425 Ca -0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1iwa h GLU 425 Cb 0.96 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1iwa h GLU 425 CO 0.21 0.59 0.06 0.00 -1.00 0.00 0.00 179.01 178.87 1iwa h ALA 426 N 1.56 0.11 -0.60 3.43 0.00 -0.51 0.91 119.26 124.16 1iwa h ALA 426 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1iwa h ALA 426 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1iwa h ALA 426 CO -0.07 -0.39 0.12 1.98 0.00 0.00 0.00 179.25 180.89 1iwa h MET 427 N 0.11 0.96 0.02 0.00 1.85 -0.70 -1.12 114.93 116.05 1iwa h MET 427 Ca 0.03 -0.22 -0.21 0.00 -0.61 0.00 0.00 59.70 58.69 1iwa h MET 427 Cb 0.00 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 1iwa h MET 427 CO -0.01 0.87 -0.98 -0.84 -0.40 0.00 0.00 176.91 175.55 1iwa h ILE 428 N 0.91 1.61 -0.52 1.77 -0.00 -1.21 -1.04 117.51 119.03 1iwa h ILE 428 Ca 0.19 -3.08 0.00 0.00 -0.00 0.00 0.00 64.86 61.97 1iwa h ILE 428 Cb 0.36 2.73 -0.03 0.00 -0.00 0.00 0.00 36.82 39.88 1iwa h ILE 428 CO 0.00 0.89 0.34 0.25 -0.00 0.00 0.00 178.15 179.63 1iwa h LEU 429 N 0.03 0.61 -0.47 0.16 7.12 -0.60 0.31 115.31 122.47 1iwa h LEU 429 Ca -0.04 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 1iwa h LEU 429 Cb 1.69 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.65 1iwa h LEU 429 CO 0.14 0.46 0.23 0.00 -0.13 0.00 0.00 178.44 179.14 1iwa h ALA 430 N 1.18 0.61 0.06 1.25 0.00 -1.08 -1.84 119.26 119.44 1iwa h ALA 430 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1iwa h ALA 430 Cb -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1iwa h ALA 430 CO -0.04 0.17 -0.24 -0.09 0.00 0.00 0.00 179.25 179.05 1iwa h ARG 431 N 0.62 -0.39 -0.72 0.00 2.43 -0.41 -1.84 114.38 114.07 1iwa h ARG 431 Ca 0.16 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 1iwa h ARG 431 Cb 0.11 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1iwa h ARG 431 CO -0.02 -0.26 0.48 -0.91 -1.51 0.00 0.00 179.97 177.75 1iwa h ASN 432 N -0.40 0.55 0.00 -3.80 2.35 -0.77 0.22 115.58 113.73 1iwa h ASN 432 Ca 0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1iwa h ASN 432 Cb 0.46 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1iwa h ASN 432 CO -0.18 0.33 0.00 -0.62 -1.65 0.00 0.00 177.43 175.31 1iwa n GLU 433 N -4.49 0.54 -2.38 0.81 1.02 -0.71 -4.81 120.64 110.61 1iwa n GLU 433 Ca 0.12 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.08 1iwa n GLU 433 Cb 0.34 -1.13 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 1iwa n GLU 433 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iwa n ASN 434 N -0.63 -5.20 -4.91 1.62 2.85 0.78 -5.00 115.26 104.77 1iwa n ASN 434 Ca 0.03 -0.04 -0.27 0.00 -0.11 0.00 0.00 54.58 54.20 1iwa n ASN 434 Cb 0.02 -4.26 -0.01 0.00 1.24 0.00 0.00 39.78 36.77 1iwa n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1iwa s ARG 435 N -4.94 3.55 -1.38 1.20 0.52 -1.07 -4.97 118.95 111.87 1iwa s ARG 435 Ca 0.02 0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.19 1iwa s ARG 435 Cb -0.01 -2.47 0.10 0.00 0.52 0.00 0.00 34.95 33.09 1iwa s ARG 435 CO 0.03 -0.07 2.10 -3.47 0.02 0.00 0.00 175.30 173.91 1iwa n ASP 436 N -1.95 4.73 0.30 0.23 4.64 -1.26 -4.71 116.55 118.53 1iwa n ASP 436 Ca -0.01 -2.97 0.21 0.00 -1.38 0.00 0.00 54.79 50.64 1iwa n ASP 436 Cb 0.55 -1.56 1.08 0.00 -1.04 0.00 0.00 41.12 40.15 1iwa n ASP 436 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 1iwa h TYR 437 N 5.80 0.00 -0.43 -0.67 -0.00 -1.92 -0.66 116.97 119.09 1iwa h TYR 437 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 59.09 1iwa h TYR 437 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.33 1iwa h TYR 437 CO 1.38 0.00 -0.30 1.25 -0.00 0.00 0.00 178.16 180.49 1iwa h LEU 438 N 0.00 0.99 0.00 0.10 6.46 -1.86 0.12 115.31 121.12 1iwa h LEU 438 Ca 0.00 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.33 1iwa h LEU 438 Cb 0.03 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 1iwa h LEU 438 CO 0.00 1.21 -0.09 0.74 -0.62 0.00 0.00 178.44 179.68 1iwa h THR 439 N 0.80 1.52 -0.02 1.05 2.02 -1.73 -3.34 112.91 113.20 1iwa h THR 439 Ca 0.09 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1iwa h THR 439 Cb 0.88 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1iwa h THR 439 CO 0.08 0.52 0.00 -0.62 0.37 0.00 0.00 175.52 175.86 1iwa n GLU 440 N -4.62 1.09 -0.11 6.66 1.02 -0.34 -4.51 120.64 119.83 1iwa n GLU 440 Ca -0.10 -0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 56.88 1iwa n GLU 440 Cb 0.44 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 1iwa n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1iwa h GLY 441 N 5.49 -2.18 -0.51 0.62 0.00 -0.89 -0.38 103.07 105.22 1iwa h GLY 441 Ca 0.00 1.06 0.22 0.00 0.00 0.00 0.00 47.33 48.60 1iwa h GLY 441 CO 0.00 -0.73 0.12 -2.55 0.00 0.00 0.00 176.54 173.37 1iwa h PRO 442 N -0.01 0.13 -0.15 4.80 0.11 -1.86 0.75 132.00 135.78 1iwa h PRO 442 Ca 0.04 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 1iwa h PRO 442 Cb 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1iwa h PRO 442 CO -0.25 0.09 -0.37 0.93 -0.21 0.00 0.00 178.00 178.18 1iwa h GLU 443 N 0.13 0.32 -0.57 1.05 4.39 -1.62 0.03 114.58 118.30 1iwa h GLU 443 Ca 0.51 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 1iwa h GLU 443 Cb 1.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1iwa h GLU 443 CO -0.71 0.65 0.05 0.82 -1.16 0.00 0.00 179.01 178.66 1iwa h ILE 444 N 0.27 1.26 -0.28 3.13 2.04 0.76 0.38 117.51 125.07 1iwa h ILE 444 Ca 0.03 -1.05 -0.16 0.00 1.00 0.00 0.00 64.86 64.68 1iwa h ILE 444 Cb 0.78 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1iwa h ILE 444 CO 0.06 0.38 -0.44 -0.07 0.00 0.00 0.00 178.15 178.08 1iwa h LEU 445 N 0.87 0.88 -0.13 1.44 3.38 -1.12 -0.89 115.31 119.73 1iwa h LEU 445 Ca 0.17 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1iwa h LEU 445 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1iwa h LEU 445 CO 0.02 1.22 0.08 -0.09 0.09 0.00 0.00 178.44 179.76 1iwa h ARG 446 N 0.56 0.18 -0.28 1.13 9.65 -0.84 0.41 114.38 125.18 1iwa h ARG 446 Ca 0.03 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1iwa h ARG 446 Cb 1.04 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 1iwa h ARG 446 CO 0.10 0.16 0.14 1.49 2.80 0.00 0.00 179.97 184.66 1iwa h GLU 447 N 0.14 0.41 -0.48 0.20 4.57 -0.91 -2.14 114.58 116.37 1iwa h GLU 447 Ca 0.05 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1iwa h GLU 447 Cb 0.03 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1iwa h GLU 447 CO -0.01 0.39 0.13 0.00 -1.18 0.00 0.00 179.01 178.34 1iwa h ALA 448 N 1.00 1.34 0.00 2.92 0.00 -0.97 -1.67 119.26 121.87 1iwa h ALA 448 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1iwa h ALA 448 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1iwa h ALA 448 CO -0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1iwa h ALA 449 N 1.45 1.00 -0.12 0.00 0.00 0.42 -3.08 119.26 118.94 1iwa h ALA 449 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1iwa h ALA 449 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 449 CO -0.01 0.00 -0.25 0.87 0.00 0.00 0.00 179.25 179.86 1iwa h LYS 450 N 0.00 -0.32 -0.14 0.00 1.57 -0.69 -2.42 116.57 114.58 1iwa h LYS 450 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1iwa h LYS 450 Cb 0.27 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1iwa h LYS 450 CO 0.00 -0.21 0.00 0.25 -0.57 0.00 0.00 179.45 178.92 1iwa n THR 451 N -5.37 0.17 -3.55 -0.16 -2.24 -1.16 -4.67 114.28 97.29 1iwa n THR 451 Ca -0.03 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1iwa n THR 451 Cb 0.29 0.22 -0.15 0.00 -2.10 0.00 0.00 70.33 68.59 1iwa n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa h GLY 453 N 8.14 0.65 1.00 0.00 0.00 -1.83 -2.18 103.07 108.84 1iwa h GLY 453 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1iwa h GLY 453 CO 0.42 0.06 0.31 0.00 0.00 0.00 0.00 176.54 177.33 1iwa h ALA 454 N 1.66 0.60 -0.33 3.60 0.00 -1.91 0.27 119.26 123.14 1iwa h ALA 454 Ca 0.35 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1iwa h ALA 454 Cb 0.82 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1iwa h ALA 454 CO -0.11 0.06 -0.34 1.25 0.00 0.00 0.00 179.25 180.11 1iwa h LEU 455 N 0.64 0.78 0.48 0.00 5.85 -1.72 -0.23 115.31 121.10 1iwa h LEU 455 Ca 0.17 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1iwa h LEU 455 Cb -0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1iwa h LEU 455 CO -0.04 1.05 -0.47 -0.09 -0.34 0.00 0.00 178.44 178.55 1iwa h ARG 456 N 0.62 -0.91 -0.90 1.25 2.43 -0.84 0.26 114.38 116.29 1iwa h ARG 456 Ca 0.06 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 1iwa h ARG 456 Cb 0.88 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 1iwa h ARG 456 CO 0.08 -0.61 0.58 1.15 -1.51 0.00 0.00 179.97 179.66 1iwa h THR 457 N -0.95 0.91 0.37 0.20 2.02 -0.43 -2.62 112.91 112.42 1iwa h THR 457 Ca -0.06 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1iwa h THR 457 Cb 0.82 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1iwa h THR 457 CO -0.06 0.15 -0.18 0.00 0.37 0.00 0.00 175.52 175.80 1iwa h ALA 458 N 1.57 -0.51 0.00 6.16 0.00 -0.22 -2.81 119.26 123.45 1iwa h ALA 458 Ca 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1iwa h ALA 458 Cb 0.53 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1iwa h ALA 458 CO -0.20 -0.79 0.08 1.28 0.00 0.00 0.00 179.25 179.62 1iwa n LEU 459 N -5.31 0.11 -0.04 0.00 4.77 0.01 -2.26 117.00 114.27 1iwa n LEU 459 Ca -0.11 0.49 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1iwa n LEU 459 Cb 0.22 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1iwa n LEU 459 CO 0.36 -0.53 -0.97 0.47 -1.33 0.00 0.00 177.39 175.40 1iwa n ASP 460 N -1.60 1.95 0.00 -1.43 8.00 -1.06 -3.96 116.55 118.45 1iwa n ASP 460 Ca -0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1iwa n ASP 460 Cb 0.08 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1iwa n ASP 460 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1iwa n LEU 461 N -3.37 0.21 -1.76 0.64 0.00 -0.96 -3.37 117.00 108.40 1iwa n LEU 461 Ca -0.35 0.71 -0.09 0.00 0.00 0.00 0.00 56.01 56.28 1iwa n LEU 461 Cb 1.03 -0.29 -0.02 0.00 0.00 0.00 0.00 43.42 44.15 1iwa n LEU 461 CO 0.38 -0.29 1.19 0.79 0.00 0.00 0.00 177.39 179.46 1iwa n TRP 462 N -1.37 0.58 -0.05 1.96 8.01 -1.24 -4.46 117.44 120.85 1iwa n TRP 462 Ca 0.00 -1.43 -0.11 0.00 -1.31 0.00 0.00 57.50 54.65 1iwa n TRP 462 Cb 0.00 -0.85 -0.05 0.00 -2.01 0.00 0.00 31.31 28.40 1iwa n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1iwa h LYS 463 N 1.56 0.29 0.12 -0.99 3.64 -1.68 -3.32 116.57 116.19 1iwa h LYS 463 Ca 0.14 -0.08 -0.33 0.00 -1.27 0.00 0.00 60.65 59.12 1iwa h LYS 463 Cb 1.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1iwa h LYS 463 CO 0.32 0.45 -1.69 -0.44 -2.27 0.00 0.00 179.45 175.82 1iwa h ASP 464 N 0.09 0.41 0.00 4.20 3.45 -1.86 -3.49 116.42 119.22 1iwa h ASP 464 Ca 0.05 -0.66 0.00 0.00 0.43 0.00 0.00 57.03 56.85 1iwa h ASP 464 Cb 0.30 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1iwa h ASP 464 CO 0.00 1.56 0.00 -0.38 -1.57 0.00 0.00 179.24 178.86 1iwa n ILE 465 N -3.45 0.00 -3.68 0.35 2.08 -1.25 -4.96 119.36 108.45 1iwa n ILE 465 Ca -0.21 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 62.99 1iwa n ILE 465 Cb 1.05 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.85 1iwa n ILE 465 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1iwa s THR 466 N 0.00 -0.01 -0.58 1.39 -1.32 -1.26 -5.08 115.64 108.79 1iwa s THR 466 Ca 0.00 0.03 0.05 0.00 -1.21 0.00 0.00 61.69 60.56 1iwa s THR 466 Cb 0.00 -0.75 0.34 0.00 -1.51 0.00 0.00 72.50 70.58 1iwa s THR 466 CO 0.00 0.01 0.94 0.49 -2.21 0.00 0.00 174.62 173.85 1iwa n PHE 467 N 3.61 4.00 -2.77 9.09 3.72 -1.26 -5.06 117.46 128.78 1iwa n PHE 467 Ca -0.18 -4.00 -0.43 0.00 -0.05 0.00 0.00 57.45 52.78 1iwa n PHE 467 Cb 0.56 -0.49 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1iwa n PHE 467 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1iwa s ASN 468 N -3.42 6.49 0.25 4.37 -0.87 -1.26 -4.84 114.94 115.65 1iwa s ASN 468 Ca 0.48 0.08 0.02 0.00 -1.57 0.00 0.00 52.86 51.87 1iwa s ASN 468 Cb 0.27 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.25 39.00 1iwa s ASN 468 CO -0.13 -1.14 0.20 -0.31 -2.57 0.00 0.00 177.10 173.14 1iwa s TYR 469 N 3.98 1.35 -0.07 2.20 1.51 -1.26 -5.15 117.35 119.91 1iwa s TYR 469 Ca 0.38 -1.47 -0.16 0.00 -1.01 0.00 0.00 57.07 54.81 1iwa s TYR 469 Cb -0.10 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1iwa s TYR 469 CO 0.26 -0.74 0.42 0.99 -1.11 0.00 0.00 175.55 175.37 1iwa s THR 470 N -3.88 5.12 0.02 -0.71 2.01 -1.26 -5.05 115.64 111.90 1iwa s THR 470 Ca 0.39 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 1iwa s THR 470 Cb 0.05 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1iwa s THR 470 CO 0.18 0.45 1.33 -0.44 -0.69 0.00 0.00 174.62 175.45 1iwa s SER 471 N -0.19 6.92 0.31 3.53 0.01 -1.26 -4.91 113.70 118.12 1iwa s SER 471 Ca 0.24 2.08 0.16 0.00 1.31 0.00 0.00 55.95 59.74 1iwa s SER 471 Cb -0.16 -2.57 0.33 0.00 0.21 0.00 0.00 66.02 63.83 1iwa s SER 471 CO 0.11 -0.64 1.56 0.71 0.41 0.00 0.00 173.24 175.39 1iwa h THR 472 N 4.75 0.90 -3.60 1.44 1.35 -1.97 -3.39 112.91 112.39 1iwa h THR 472 Ca -0.39 -1.97 -0.67 0.00 -0.55 0.00 0.00 66.41 62.84 1iwa h THR 472 Cb 1.19 2.23 -0.39 0.00 -1.73 0.00 0.00 68.15 69.45 1iwa h THR 472 CO 0.88 0.46 -0.66 -0.62 -0.25 0.00 0.00 175.52 175.33 1iwa s ASP 473 N -6.45 4.87 0.00 5.36 2.15 -1.26 -4.34 116.67 116.99 1iwa s ASP 473 Ca 0.02 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.77 1iwa s ASP 473 Cb 0.09 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 1iwa s ASP 473 CO 0.72 -0.41 0.00 0.41 -0.17 0.00 0.00 175.17 175.72 1iwa n THR 474 N 4.20 0.00 -3.03 1.71 -1.04 -1.26 -4.45 114.28 110.41 1iwa n THR 474 Ca 0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 1iwa n THR 474 Cb 0.41 -0.27 0.01 0.00 -1.82 0.00 0.00 70.33 68.66 1iwa n THR 474 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iwa s SER 475 N -0.67 5.84 -0.07 8.00 0.15 -1.26 -5.02 113.70 120.67 1iwa s SER 475 Ca 0.00 0.24 0.11 0.00 0.70 0.00 0.00 55.95 56.99 1iwa s SER 475 Cb 0.00 -1.50 0.27 0.00 -1.71 0.00 0.00 66.02 63.08 1iwa s SER 475 CO 0.00 -0.68 1.20 0.47 1.20 0.00 0.00 173.24 175.44 1iwa n ASP 476 N -2.04 2.78 0.00 5.45 8.00 -1.26 -4.59 116.55 124.90 1iwa n ASP 476 Ca 0.01 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.06 1iwa n ASP 476 Cb 0.58 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1iwa n ASP 476 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwa n PHE 477 N -0.39 0.00 0.00 1.24 3.01 -1.26 -4.61 117.46 115.45 1iwa n PHE 477 Ca 0.12 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1iwa n PHE 477 Cb 0.53 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10